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

C43H30N2O — CID 121441596

IUPAC9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3COC4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H30N2O/c1-3-11-29(12-4-1)40-24-34(25-41(44-40)30-13-5-2-6-14-30)31-19-20-32-27-46-28-33-21-22-35(26-39(33)38(32)23-31)45-42-17-9-7-15-36(42)37-16-8-10-18-43(37)45/h1-26H,27-28H2
InChIKeyKVSYIVGRETVVQT-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.88
Rot. Bonds4

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

9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole (PubChem CID 121441596) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole.

Molecular Properties

Compound Name9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
PubChem CID121441596
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3COC4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H30N2O/c1-3-11-29(12-4-1)40-24-34(25-41(44-40)30-13-5-2-6-14-30)31-19-20-32-27-46-28-33-21-22-35(26-39(33)38(32)23-31)45-42-17-9-7-15-36(42)37-16-8-10-18-43(37)45/h1-26H,27-28H2
InChIKeyKVSYIVGRETVVQT-UHFFFAOYSA-N
XLogP10.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole
CID 121441466
4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
CID 121441586
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
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
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045

Frequently Asked Questions

What is the IUPAC name of 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole?
The IUPAC name of 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole (CID 121441596) is 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole.
What is the SMILES notation for 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole?
The canonical SMILES for 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3COC4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole?
The InChIKey is KVSYIVGRETVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-3-11-29(12-4-1)40-24-34(25-41(44-40)30-13-5-2-6-14-30)31-19-20-32-27-46-28-33-21-22-35(26-39(33)38(32)23-31)45-42-17-9-7-15-36(42)37-16-8-10-18-43(37)45/h1-26H,27-28H2.
What are the key properties of 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole?
9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole has a molecular weight of 590.73 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole is sourced from PubChem (CID 121441596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).