1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine

C45H30N8 — CID 90061123

IUPAC1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
SMILESc1ccc(-n2ccc3ccc4c5cc(N(c6ccc(-c7ncccn7)cc6)c6ccc(-c7ncncn7)cc6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C45H30N8/c1-3-8-34(9-4-1)51-27-24-31-16-22-39-40-28-38(21-23-41(40)53(43(39)42(31)51)35-10-5-2-6-11-35)52(36-17-12-32(13-18-36)44-47-25-7-26-48-44)37-19-14-33(15-20-37)45-49-29-46-30-50-45/h1-30H
InChIKeyQHWHFYJMAKHOPQ-UHFFFAOYSA-N
MW682.79 g/mol
LogP10.51
Rot. Bonds7

About 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine

1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine (PubChem CID 90061123) has the molecular formula C45H30N8 and a molecular weight of 682.79 g/mol. Its IUPAC name is 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine.

Molecular Properties

Compound Name1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
PubChem CID90061123
Molecular FormulaC45H30N8
Molecular Weight682.79 g/mol
Exact Mass682.26
IUPAC Name1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
SMILESc1ccc(-n2ccc3ccc4c5cc(N(c6ccc(-c7ncccn7)cc6)c6ccc(-c7ncncn7)cc6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C45H30N8/c1-3-8-34(9-4-1)51-27-24-31-16-22-39-40-28-38(21-23-41(40)53(43(39)42(31)51)35-10-5-2-6-11-35)52(36-17-12-32(13-18-36)44-47-25-7-26-48-44)37-19-14-33(15-20-37)45-49-29-46-30-50-45/h1-30H
InChIKeyQHWHFYJMAKHOPQ-UHFFFAOYSA-N
XLogP10.51
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.79
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,10-diphenyl-N,N-bis(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
CID 159420753
1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine
CID 90060886
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90061020
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 161428422
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90060850
4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
CID 90061264
5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine
CID 145110377

Frequently Asked Questions

What is the IUPAC name of 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine?
The IUPAC name of 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine (CID 90061123) is 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine.
What is the SMILES notation for 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine?
The canonical SMILES for 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine is c1ccc(-n2ccc3ccc4c5cc(N(c6ccc(-c7ncccn7)cc6)c6ccc(-c7ncncn7)cc6)ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine?
The InChIKey is QHWHFYJMAKHOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N8/c1-3-8-34(9-4-1)51-27-24-31-16-22-39-40-28-38(21-23-41(40)53(43(39)42(31)51)35-10-5-2-6-11-35)52(36-17-12-32(13-18-36)44-47-25-7-26-48-44)37-19-14-33(15-20-37)45-49-29-46-30-50-45/h1-30H.
What are the key properties of 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine?
1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine has a molecular weight of 682.79 g/mol, XLogP of 10.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine is sourced from PubChem (CID 90061123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).