18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C53H38N2S — CID 155361880

IUPAC18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc2-c2c1ccc1sc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c21
InChIInChI=1S/C53H38N2S/c1-53(2)47-27-28-49-52(46-32-36-24-26-44(30-38(36)34-50(46)56-49)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42)51(47)45-31-35-23-25-43(29-37(35)33-48(45)53)54(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3-34H,1-2H3
InChIKeyDASVZPYIJDUXDU-UHFFFAOYSA-N
MW734.97 g/mol
LogP15.61
Rot. Bonds6

About 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155361880) has the molecular formula C53H38N2S and a molecular weight of 734.97 g/mol. Its IUPAC name is 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
PubChem CID155361880
Molecular FormulaC53H38N2S
Molecular Weight734.97 g/mol
Exact Mass734.28
IUPAC Name18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc2-c2c1ccc1sc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c21
InChIInChI=1S/C53H38N2S/c1-53(2)47-27-28-49-52(46-32-36-24-26-44(30-38(36)34-50(46)56-49)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42)51(47)45-31-35-23-25-43(29-37(35)33-48(45)53)54(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3-34H,1-2H3
InChIKeyDASVZPYIJDUXDU-UHFFFAOYSA-N
XLogP15.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.97
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine with MolForge

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Related Compounds

13,13,18,18-tetramethyl-8-N,8-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155359969
8-N,23-N-bis(4-cyclohexylphenyl)-28,28-dimethyl-8-N,23-N-diphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155359863
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-17-amine
CID 130290091
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-9-amine
CID 155361224
N-(13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-yl)-N-(4-phenylphenyl)-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
CID 149367038
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 157246234
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
12,12-dimethyl-7,17-bis(N-phenylanilino)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-3-carbonitrile
CID 70835665
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(3-phenylphenyl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 157396609
N-(14,14-dimethyl-11-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-phenyl-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 164700808
8-N,8-N,23-N,23-N-tetraphenyl-13-oxa-18-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155644990

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The IUPAC name of 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 155361880) is 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.
What is the SMILES notation for 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The canonical SMILES for 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is CC1(C)c2cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc2-c2c1ccc1sc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c21.
What is the InChIKey of 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The InChIKey is DASVZPYIJDUXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2S/c1-53(2)47-27-28-49-52(46-32-36-24-26-44(30-38(36)34-50(46)56-49)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42)51(47)45-31-35-23-25-43(29-37(35)33-48(45)53)54(39-15-7-3-8-16-39)40-17-9-4-10-18-40/h3-34H,1-2H3.
What are the key properties of 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 734.97 g/mol, XLogP of 15.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155361880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).