9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole

C41H27N3 — CID 118587512

IUPAC9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cncc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C41H27N3/c1-3-12-28(13-4-1)29-22-24-31(25-23-29)44-37-20-9-7-16-32(37)33-18-11-19-34(41(33)44)36-26-42-27-39-40(36)35-17-8-10-21-38(35)43(39)30-14-5-2-6-15-30/h1-27H
InChIKeyOVRLRRJHSSRJDC-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole

9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole (PubChem CID 118587512) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole
PubChem CID118587512
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cncc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C41H27N3/c1-3-12-28(13-4-1)29-22-24-31(25-23-29)44-37-20-9-7-16-32(37)33-18-11-19-34(41(33)44)36-26-42-27-39-40(36)35-17-8-10-21-38(35)43(39)30-14-5-2-6-15-30/h1-27H
InChIKeyOVRLRRJHSSRJDC-UHFFFAOYSA-N
XLogP10.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-phenylpyrido[4,3-b]indole;4-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-4-(9-phenylcarbazol-4-yl)pyrido[4,3-b]indole;5-phenyl-4-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[4,3-b]indole
CID 158225436
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole?
The IUPAC name of 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole (CID 118587512) is 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole?
The canonical SMILES for 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cncc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole?
The InChIKey is OVRLRRJHSSRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-3-12-28(13-4-1)29-22-24-31(25-23-29)44-37-20-9-7-16-32(37)33-18-11-19-34(41(33)44)36-26-42-27-39-40(36)35-17-8-10-21-38(35)43(39)30-14-5-2-6-15-30/h1-27H.
What are the key properties of 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole?
9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole has a molecular weight of 561.69 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 118587512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).