1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole

C42H28N4 — CID 123499530

IUPAC1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4cc5c6ccccc6n(-c6ccc(-c7ccccn7)cc6)c5cc43)c2)cc1
InChIInChI=1S/C42H28N4/c1-3-11-29(12-4-1)33-26-38(30-13-5-2-6-14-30)44-42(27-33)45-24-22-32-25-36-35-15-7-8-17-39(35)46(41(36)28-40(32)45)34-20-18-31(19-21-34)37-16-9-10-23-43-37/h1-28H
InChIKeyJDAINZLYVUIQNT-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.52
Rot. Bonds5

About 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole

1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole (PubChem CID 123499530) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole
PubChem CID123499530
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4cc5c6ccccc6n(-c6ccc(-c7ccccn7)cc6)c5cc43)c2)cc1
InChIInChI=1S/C42H28N4/c1-3-11-29(12-4-1)33-26-38(30-13-5-2-6-14-30)44-42(27-33)45-24-22-32-25-36-35-15-7-8-17-39(35)46(41(36)28-40(32)45)34-20-18-31(19-21-34)37-16-9-10-23-43-37/h1-28H
InChIKeyJDAINZLYVUIQNT-UHFFFAOYSA-N
XLogP10.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267588
23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
CID 90267340
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223421
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
5-(6-phenyl-4-pyridin-2-yl-2-pyridinyl)-7-pyridin-2-ylindolo[2,3-b]carbazole
CID 156769318
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole (CID 123499530) is 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4cc5c6ccccc6n(-c6ccc(-c7ccccn7)cc6)c5cc43)c2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The InChIKey is JDAINZLYVUIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-11-29(12-4-1)33-26-38(30-13-5-2-6-14-30)44-42(27-33)45-24-22-32-25-36-35-15-7-8-17-39(35)46(41(36)28-40(32)45)34-20-18-31(19-21-34)37-16-9-10-23-43-37/h1-28H.
What are the key properties of 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole has a molecular weight of 588.71 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 123499530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).