2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole

C38H28N4 — CID 163432614

IUPAC2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole
SMILESC1=CCCC(c2c(-c3c(-c4ccccc4)c4ccccc4n3-c3cccnc3)n(-c3ccncc3)c3ccccc23)=C1
InChIInChI=1S/C38H28N4/c1-3-12-27(13-4-1)35-31-17-7-9-19-33(31)41(29-21-24-39-25-22-29)37(35)38-36(28-14-5-2-6-15-28)32-18-8-10-20-34(32)42(38)30-16-11-23-40-26-30/h1-3,5-12,14-26H,4,13H2
InChIKeyARUKKIHHOADABO-UHFFFAOYSA-N
MW540.67 g/mol
LogP9.43
Rot. Bonds5

About 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole

2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole (PubChem CID 163432614) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole.

Molecular Properties

Compound Name2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole
PubChem CID163432614
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole
SMILESC1=CCCC(c2c(-c3c(-c4ccccc4)c4ccccc4n3-c3cccnc3)n(-c3ccncc3)c3ccccc23)=C1
InChIInChI=1S/C38H28N4/c1-3-12-27(13-4-1)35-31-17-7-9-19-33(31)41(29-21-24-39-25-22-29)37(35)38-36(28-14-5-2-6-15-28)32-18-8-10-20-34(32)42(38)30-16-11-23-40-26-30/h1-3,5-12,14-26H,4,13H2
InChIKeyARUKKIHHOADABO-UHFFFAOYSA-N
XLogP9.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole
CID 172680291
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
5-(9-cyclohexa-1,3-dien-1-yl-10-phenylanthracen-2-yl)-4-methyl-1,2-diphenylbenzimidazole
CID 143119491
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
8-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-22-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 155205535
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole?
The IUPAC name of 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole (CID 163432614) is 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole.
What is the SMILES notation for 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole?
The canonical SMILES for 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole is C1=CCCC(c2c(-c3c(-c4ccccc4)c4ccccc4n3-c3cccnc3)n(-c3ccncc3)c3ccccc23)=C1.
What is the InChIKey of 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole?
The InChIKey is ARUKKIHHOADABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-3-12-27(13-4-1)35-31-17-7-9-19-33(31)41(29-21-24-39-25-22-29)37(35)38-36(28-14-5-2-6-15-28)32-18-8-10-20-34(32)42(38)30-16-11-23-40-26-30/h1-3,5-12,14-26H,4,13H2.
What are the key properties of 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole?
2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole has a molecular weight of 540.67 g/mol, XLogP of 9.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-1,3-dien-1-yl-1-pyridin-4-ylindol-2-yl)-3-phenyl-1-pyridin-3-ylindole is sourced from PubChem (CID 163432614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).