4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene

C152H88N8S4 — CID 158783904

IUPAC4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4cc5sc6ccccc6c5cc4c4c5ccccc5cn4c23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2c2c5ccccc5cn42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2c3ccccc3cn42)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5cc6c(cc5c5c7ccccc7cn45)sc4ccccc46)c32)cc1
InChIInChI=1S/4C38H22N2S/c1-2-11-24(12-3-1)40-32-16-8-6-15-28(32)36-33(40)19-18-27-29-21-35-30(26-14-7-9-17-34(26)41-35)20-31(29)37-25-13-5-4-10-23(25)22-39(37)38(27)36;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-21-37-31(27-15-7-9-17-36(27)41-37)18-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-18-31-27-15-7-9-17-36(27)41-37(31)21-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-32-16-8-6-14-26(32)28-18-19-33-36(38(28)40)30-20-29-27-15-7-9-17-34(27)41-35(29)21-31(30)37-25-13-5-4-10-23(25)22-39(33)37/h4*1-22H
InChIKeyIRKXYMCPRHZCRN-UHFFFAOYSA-N
MW2154.70 g/mol
LogP43.46
Rot. Bonds4

About 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene

4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene (PubChem CID 158783904) has the molecular formula C152H88N8S4 and a molecular weight of 2154.70 g/mol. Its IUPAC name is 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene.

Molecular Properties

Compound Name4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene
PubChem CID158783904
Molecular FormulaC152H88N8S4
Molecular Weight2154.70 g/mol
Exact Mass2152.60
IUPAC Name4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4cc5sc6ccccc6c5cc4c4c5ccccc5cn4c23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2c2c5ccccc5cn42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2c3ccccc3cn42)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5cc6c(cc5c5c7ccccc7cn45)sc4ccccc46)c32)cc1
InChIInChI=1S/4C38H22N2S/c1-2-11-24(12-3-1)40-32-16-8-6-15-28(32)36-33(40)19-18-27-29-21-35-30(26-14-7-9-17-34(26)41-35)20-31(29)37-25-13-5-4-10-23(25)22-39(37)38(27)36;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-21-37-31(27-15-7-9-17-36(27)41-37)18-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-18-31-27-15-7-9-17-36(27)41-37(31)21-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-32-16-8-6-14-26(32)28-18-19-33-36(38(28)40)30-20-29-27-15-7-9-17-34(27)41-35(29)21-31(30)37-25-13-5-4-10-23(25)22-39(33)37/h4*1-22H
InChIKeyIRKXYMCPRHZCRN-UHFFFAOYSA-N
XLogP43.46
TPSA37.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.70
LogP ≤ 543.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

27-phenyl-19-thia-10,27-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;27-phenyl-20-thia-10,27-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-phenyl-4-thia-15,33-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-20-thia-10,33-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene
CID 159776775
14,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene
CID 140956756
24-thia-2-azaoctacyclo[19.11.0.02,10.04,9.011,20.013,18.023,31.025,30]dotriaconta-1(21),3,5,7,9,11,13,15,17,19,22,25,27,29,31-pentadecaene
CID 139436175
28-phenyl-20-thia-2,9,28-triazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.027,35.029,34]pentatriaconta-1(24),3,5,7,9,11(23),12,14,16,18,21,25,27(35),29,31,33-hexadecaene
CID 140956783
24-[3-(2,19-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaen-19-yl)phenyl]-20-phenyl-2,20-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21(26),22,24-tridecaene
CID 154992178
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
4-phenyl-27-thia-4,15,22-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene
CID 140956527
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
9-dibenzothiophen-3-yl-22-phenyl-9,22-diazahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 122465459
25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
CID 140956674
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene?
The IUPAC name of 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene (CID 158783904) is 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene.
What is the SMILES notation for 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene?
The canonical SMILES for 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene is c1ccc(-n2c3ccccc3c3c2ccc2c4cc5sc6ccccc6c5cc4c4c5ccccc5cn4c23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2c2c5ccccc5cn42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3sc5ccccc5c3cc2c2c3ccccc3cn42)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5cc6c(cc5c5c7ccccc7cn45)sc4ccccc46)c32)cc1.
What is the InChIKey of 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene?
The InChIKey is IRKXYMCPRHZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C38H22N2S/c1-2-11-24(12-3-1)40-32-16-8-6-15-28(32)36-33(40)19-18-27-29-21-35-30(26-14-7-9-17-34(26)41-35)20-31(29)37-25-13-5-4-10-23(25)22-39(37)38(27)36;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-21-37-31(27-15-7-9-17-36(27)41-37)18-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-33-16-8-6-14-26(33)29-19-34-30(20-35(29)40)28-18-31-27-15-7-9-17-36(27)41-37(31)21-32(28)38-25-13-5-4-10-23(25)22-39(34)38;1-2-11-24(12-3-1)40-32-16-8-6-14-26(32)28-18-19-33-36(38(28)40)30-20-29-27-15-7-9-17-34(27)41-35(29)21-31(30)37-25-13-5-4-10-23(25)22-39(33)37/h4*1-22H.
What are the key properties of 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene?
4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene has a molecular weight of 2154.70 g/mol, XLogP of 43.46, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-27-thia-4,15-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;19-phenyl-27-thia-10,19-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene;20-phenyl-27-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;20-phenyl-33-thia-10,20-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 158783904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).