2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole

C35H24N4 — CID 140775651

IUPAC2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5n4)c3n2)c1
InChIInChI=1S/C35H24N4/c1-23-10-9-11-24(22-23)30-20-18-28-27-15-6-8-17-32(27)39(34(28)36-30)33-21-19-29-26-14-5-7-16-31(26)38(35(29)37-33)25-12-3-2-4-13-25/h2-22H,1H3
InChIKeyYFYJZFMEBHGCQE-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.65
Rot. Bonds3

About 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole

2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole (PubChem CID 140775651) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
PubChem CID140775651
Molecular FormulaC35H24N4
Molecular Weight500.61 g/mol
Exact Mass500.20
IUPAC Name2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5n4)c3n2)c1
InChIInChI=1S/C35H24N4/c1-23-10-9-11-24(22-23)30-20-18-28-27-15-6-8-17-32(27)39(34(28)36-30)33-21-19-29-26-14-5-7-16-31(26)38(35(29)37-33)25-12-3-2-4-13-25/h2-22H,1H3
InChIKeyYFYJZFMEBHGCQE-UHFFFAOYSA-N
XLogP8.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750330
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
9-(2,6-diphenyl-4-pyridinyl)-2-(3-methylphenyl)carbazole
CID 145333962
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3,6-di(carbazol-9-yl)-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730061
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
CID 140577781
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 126730445
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole (CID 140775651) is 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole is Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5n4)c3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole?
The InChIKey is YFYJZFMEBHGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4/c1-23-10-9-11-24(22-23)30-20-18-28-27-15-6-8-17-32(27)39(34(28)36-30)33-21-19-29-26-14-5-7-16-31(26)38(35(29)37-33)25-12-3-2-4-13-25/h2-22H,1H3.
What are the key properties of 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole?
2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole has a molecular weight of 500.61 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 140775651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).