26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene

C37H23N3S — CID 165156834

IUPAC26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)C2Nc3ccccc3N2c2ccc3sc5ccccc5c3c2-4)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-22(11-3-1)39-28-15-7-4-12-23(28)24-18-19-26-33-30(20-21-32-34(33)25-13-5-9-17-31(25)41-32)40-29-16-8-6-14-27(29)38-37(40)35(26)36(24)39/h1-21,37-38H
InChIKeyVFNHPLJKICTJNR-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.39
Rot. Bonds1

About 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene

26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene (PubChem CID 165156834) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene.

Molecular Properties

Compound Name26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene
PubChem CID165156834
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)C2Nc3ccccc3N2c2ccc3sc5ccccc5c3c2-4)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-22(11-3-1)39-28-15-7-4-12-23(28)24-18-19-26-33-30(20-21-32-34(33)25-13-5-9-17-31(25)41-32)40-29-16-8-6-14-27(29)38-37(40)35(26)36(24)39/h1-21,37-38H
InChIKeyVFNHPLJKICTJNR-UHFFFAOYSA-N
XLogP10.39
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene with MolForge

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Related Compounds

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3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
CID 170042320
15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene
CID 144704995
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
14,22-diphenyl-9-thia-14,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene
CID 118203573
4-phenyl-18-(4-phenylnaphthalen-1-yl)-15-thia-4,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 163643729
12-[3-(2-phenyl-1,2-dihydroquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130180366
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
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21-[4-(4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-4-yl)phenyl]-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 118565153

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene?
The IUPAC name of 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene (CID 165156834) is 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene.
What is the SMILES notation for 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene?
The canonical SMILES for 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene is c1ccc(-n2c3ccccc3c3ccc4c(c32)C2Nc3ccccc3N2c2ccc3sc5ccccc5c3c2-4)cc1.
What is the InChIKey of 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene?
The InChIKey is VFNHPLJKICTJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-2-10-22(11-3-1)39-28-15-7-4-12-23(28)24-18-19-26-33-30(20-21-32-34(33)25-13-5-9-17-31(25)41-32)40-29-16-8-6-14-27(29)38-37(40)35(26)36(24)39/h1-21,37-38H.
What are the key properties of 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene?
26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene has a molecular weight of 541.68 g/mol, XLogP of 10.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene is sourced from PubChem (CID 165156834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).