5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole

C40H26N4 — CID 90336649

IUPAC5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)cc4c4ccncc43)c2)cc1
InChIInChI=1S/C40H26N4/c1-3-8-27(9-4-1)28-10-7-13-32(22-28)44-37-16-14-29(23-34(37)33-18-20-42-26-40(33)44)30-15-17-38-35(24-30)36-25-41-21-19-39(36)43(38)31-11-5-2-6-12-31/h1-26H
InChIKeyZBJSGVTXZDGRGR-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole

5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole (PubChem CID 90336649) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
PubChem CID90336649
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)cc4c4ccncc43)c2)cc1
InChIInChI=1S/C40H26N4/c1-3-8-27(9-4-1)28-10-7-13-32(22-28)44-37-16-14-29(23-34(37)33-18-20-42-26-40(33)44)30-15-17-38-35(24-30)36-25-41-21-19-39(36)43(38)31-11-5-2-6-12-31/h1-26H
InChIKeyZBJSGVTXZDGRGR-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 134544928
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole?
The IUPAC name of 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole (CID 90336649) is 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole?
The canonical SMILES for 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)cc4c4ccncc43)c2)cc1.
What is the InChIKey of 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole?
The InChIKey is ZBJSGVTXZDGRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-8-27(9-4-1)28-10-7-13-32(22-28)44-37-16-14-29(23-34(37)33-18-20-42-26-40(33)44)30-15-17-38-35(24-30)36-25-41-21-19-39(36)43(38)31-11-5-2-6-12-31/h1-26H.
What are the key properties of 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole?
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 90336649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).