12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole

C35H25N3 — CID 70912210

IUPAC12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
SMILESC1=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)NC(c2ccccc2)=C1
InChIInChI=1S/C35H25N3/c1-3-12-24(13-4-1)30-18-11-21-33(36-30)38-32-20-10-8-17-27(32)29-23-22-28-26-16-7-9-19-31(26)37(34(28)35(29)38)25-14-5-2-6-15-25/h1-23,33,36H
InChIKeyYPELFOZJHNQTTB-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.59
Rot. Bonds3

About 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole

12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole (PubChem CID 70912210) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
PubChem CID70912210
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
SMILESC1=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)NC(c2ccccc2)=C1
InChIInChI=1S/C35H25N3/c1-3-12-24(13-4-1)30-18-11-21-33(36-30)38-32-20-10-8-17-27(32)29-23-22-28-26-16-7-9-19-31(26)37(34(28)35(29)38)25-14-5-2-6-15-25/h1-23,33,36H
InChIKeyYPELFOZJHNQTTB-UHFFFAOYSA-N
XLogP8.59
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole (CID 70912210) is 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole is C1=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)NC(c2ccccc2)=C1.
What is the InChIKey of 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is YPELFOZJHNQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-3-12-24(13-4-1)30-18-11-21-33(36-30)38-32-20-10-8-17-27(32)29-23-22-28-26-16-7-9-19-31(26)37(34(28)35(29)38)25-14-5-2-6-15-25/h1-23,33,36H.
What are the key properties of 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole?
12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 487.61 g/mol, XLogP of 8.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 70912210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).