6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole

C57H36N6 — CID 58501543

IUPAC6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)c4)cc3c3ccncc32)cc1
InChIInChI=1S/C57H36N6/c1-4-10-43(11-5-1)61-52-19-16-37(31-49(52)46-22-25-58-34-55(46)61)40-28-41(38-17-20-53-50(32-38)47-23-26-59-35-56(47)62(53)44-12-6-2-7-13-44)30-42(29-40)39-18-21-54-51(33-39)48-24-27-60-36-57(48)63(54)45-14-8-3-9-15-45/h1-36H
InChIKeyLUSSBVSXGQVFQW-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole

6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole (PubChem CID 58501543) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole
PubChem CID58501543
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)c4)cc3c3ccncc32)cc1
InChIInChI=1S/C57H36N6/c1-4-10-43(11-5-1)61-52-19-16-37(31-49(52)46-22-25-58-34-55(46)61)40-28-41(38-17-20-53-50(32-38)47-23-26-59-35-56(47)62(53)44-12-6-2-7-13-44)30-42(29-40)39-18-21-54-51(33-39)48-24-27-60-36-57(48)63(54)45-14-8-3-9-15-45/h1-36H
InChIKeyLUSSBVSXGQVFQW-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole (CID 58501543) is 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole is c1ccc(-n2c3ccc(-c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)c4)cc3c3ccncc32)cc1.
What is the InChIKey of 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole?
The InChIKey is LUSSBVSXGQVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-4-10-43(11-5-1)61-52-19-16-37(31-49(52)46-22-25-58-34-55(46)61)40-28-41(38-17-20-53-50(32-38)47-23-26-59-35-56(47)62(53)44-12-6-2-7-13-44)30-42(29-40)39-18-21-54-51(33-39)48-24-27-60-36-57(48)63(54)45-14-8-3-9-15-45/h1-36H.
What are the key properties of 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole?
6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 58501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).