9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole

C43H30N2S — CID 121441466

IUPAC9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-n5c6ccccc6c6ccccc65)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H30N2S/c1-3-11-29(12-4-1)40-24-33(25-41(44-40)30-13-5-2-6-14-30)31-20-22-36-34(23-31)28-46-27-32-19-21-35(26-39(32)36)45-42-17-9-7-15-37(42)38-16-8-10-18-43(38)45/h1-26H,27-28H2
InChIKeyLBGREENWKVZQAN-UHFFFAOYSA-N
MW606.79 g/mol
LogP11.59
Rot. Bonds4

About 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole

9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole (PubChem CID 121441466) has the molecular formula C43H30N2S and a molecular weight of 606.79 g/mol. Its IUPAC name is 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole.

Molecular Properties

Compound Name9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole
PubChem CID121441466
Molecular FormulaC43H30N2S
Molecular Weight606.79 g/mol
Exact Mass606.21
IUPAC Name9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-n5c6ccccc6c6ccccc65)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H30N2S/c1-3-11-29(12-4-1)40-24-33(25-41(44-40)30-13-5-2-6-14-30)31-20-22-36-34(23-31)28-46-27-32-19-21-35(26-39(32)36)45-42-17-9-7-15-37(42)38-16-8-10-18-43(38)45/h1-26H,27-28H2
InChIKeyLBGREENWKVZQAN-UHFFFAOYSA-N
XLogP11.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.79
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
CID 121441596
9-[3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-3-isocyanocarbazole
CID 140727920
9-[3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole-3-carbonitrile
CID 121443179
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]carbazole-3-carbonitrile
CID 121443107
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
4-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-3-isocyanocarbazole;4-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-2,6-diphenylpyridine
CID 158170779
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole?
The IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole (CID 121441466) is 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole.
What is the SMILES notation for 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole?
The canonical SMILES for 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-n5c6ccccc6c6ccccc65)cc3-4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole?
The InChIKey is LBGREENWKVZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2S/c1-3-11-29(12-4-1)40-24-33(25-41(44-40)30-13-5-2-6-14-30)31-20-22-36-34(23-31)28-46-27-32-19-21-35(26-39(32)36)45-42-17-9-7-15-37(42)38-16-8-10-18-43(38)45/h1-26H,27-28H2.
What are the key properties of 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole?
9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole has a molecular weight of 606.79 g/mol, XLogP of 11.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole is sourced from PubChem (CID 121441466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).