9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

C53H40N2 — CID 58663528

IUPAC9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-n4c5c(c6cccnc64)CCCC5)c3)c2)cc1
InChIInChI=1S/C53H40N2/c1-5-16-37(17-6-1)41-28-42(38-18-7-2-8-19-38)31-45(30-41)47-34-48(36-49(35-47)55-52-26-14-13-24-50(52)51-25-15-27-54-53(51)55)46-32-43(39-20-9-3-10-21-39)29-44(33-46)40-22-11-4-12-23-40/h1-12,15-23,25,27-36H,13-14,24,26H2
InChIKeyIUBNAXXNYFFFTI-UHFFFAOYSA-N
MW704.92 g/mol
LogP13.91
Rot. Bonds7

About 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (PubChem CID 58663528) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
PubChem CID58663528
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-n4c5c(c6cccnc64)CCCC5)c3)c2)cc1
InChIInChI=1S/C53H40N2/c1-5-16-37(17-6-1)41-28-42(38-18-7-2-8-19-38)31-45(30-41)47-34-48(36-49(35-47)55-52-26-14-13-24-50(52)51-25-15-27-54-53(51)55)46-32-43(39-20-9-3-10-21-39)29-44(33-46)40-22-11-4-12-23-40/h1-12,15-23,25,27-36H,13-14,24,26H2
InChIKeyIUBNAXXNYFFFTI-UHFFFAOYSA-N
XLogP13.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 11172700
9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663536
9-(3-phenyl-5-pyridin-2-ylphenyl)pyrido[2,3-b]indole
CID 158284892
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
CID 14423208
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
CID 90055114
9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 146187552
9-(3,5-diphenylphenyl)carbazole
CID 86068368
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
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
12-phenyl-5-(5-phenylpyrimidin-2-yl)-8,9,10,11-tetrahydroindolo[3,2-c]carbazole
CID 90055395

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (CID 58663528) is 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-n4c5c(c6cccnc64)CCCC5)c3)c2)cc1.
What is the InChIKey of 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The InChIKey is IUBNAXXNYFFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2/c1-5-16-37(17-6-1)41-28-42(38-18-7-2-8-19-38)31-45(30-41)47-34-48(36-49(35-47)55-52-26-14-13-24-50(52)51-25-15-27-54-53(51)55)46-32-43(39-20-9-3-10-21-39)29-44(33-46)40-22-11-4-12-23-40/h1-12,15-23,25,27-36H,13-14,24,26H2.
What are the key properties of 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole has a molecular weight of 704.92 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 58663528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).