1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole

C38H26N4 — CID 101437629

IUPAC1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
SMILESc1ccc(-n2c(-c3ccccn3)c(-c3c(-c4ccccn4)n(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C38H26N4/c1-3-15-27(16-4-1)41-33-23-9-7-19-29(33)35(37(41)31-21-11-13-25-39-31)36-30-20-8-10-24-34(30)42(28-17-5-2-6-18-28)38(36)32-22-12-14-26-40-32/h1-26H
InChIKeyPIKIVLRNYUAQIW-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.37
Rot. Bonds5

About 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole

1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole (PubChem CID 101437629) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole.

Molecular Properties

Compound Name1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
PubChem CID101437629
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
SMILESc1ccc(-n2c(-c3ccccn3)c(-c3c(-c4ccccn4)n(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C38H26N4/c1-3-15-27(16-4-1)41-33-23-9-7-19-29(33)35(37(41)31-21-11-13-25-39-31)36-30-20-8-10-24-34(30)42(28-17-5-2-6-18-28)38(36)32-22-12-14-26-40-32/h1-26H
InChIKeyPIKIVLRNYUAQIW-UHFFFAOYSA-N
XLogP9.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
9-phenylcarbazole;pyridine
CID 158880805
16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 139497770
9-phenylpyrido[2,3-b]indole
CID 15939260
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole?
The IUPAC name of 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole (CID 101437629) is 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole.
What is the SMILES notation for 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole?
The canonical SMILES for 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole is c1ccc(-n2c(-c3ccccn3)c(-c3c(-c4ccccn4)n(-c4ccccc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole?
The InChIKey is PIKIVLRNYUAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-15-27(16-4-1)41-33-23-9-7-19-29(33)35(37(41)31-21-11-13-25-39-31)36-30-20-8-10-24-34(30)42(28-17-5-2-6-18-28)38(36)32-22-12-14-26-40-32/h1-26H.
What are the key properties of 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole?
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole has a molecular weight of 538.65 g/mol, XLogP of 9.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole is sourced from PubChem (CID 101437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).