11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole

C41H31N3 — CID 90055114

IUPAC11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc6c(cc53)c3ccccc3n6-c3ccccc3)CCCC4)c2)cc1
InChIInChI=1S/C41H31N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-10,12,14-20,22,24-27H,11,13,21,23H2
InChIKeyBKUSFAVFHIAAEQ-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.34
Rot. Bonds4

About 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole

11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole (PubChem CID 90055114) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
PubChem CID90055114
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc6c(cc53)c3ccccc3n6-c3ccccc3)CCCC4)c2)cc1
InChIInChI=1S/C41H31N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-10,12,14-20,22,24-27H,11,13,21,23H2
InChIKeyBKUSFAVFHIAAEQ-UHFFFAOYSA-N
XLogP10.34
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
11-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 158072989
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole
CID 90055724
5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 157399979
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
9-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)pyrido[3,4-b]indole
CID 130355772
9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydrocarbazole
CID 58663612
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole (CID 90055114) is 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc6c(cc53)c3ccccc3n6-c3ccccc3)CCCC4)c2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is BKUSFAVFHIAAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-10,12,14-20,22,24-27H,11,13,21,23H2.
What are the key properties of 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole?
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 565.72 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 90055114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).