N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine

C40H28N4 — CID 58921964

IUPACN,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nccnc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N4/c1-4-12-29(13-5-1)39-40(42-27-26-41-39)30-20-22-33(23-21-30)43(31-14-6-2-7-15-31)34-24-25-38-36(28-34)35-18-10-11-19-37(35)44(38)32-16-8-3-9-17-32/h1-28H
InChIKeyIGHXBKORZLMZIK-UHFFFAOYSA-N
MW564.69 g/mol
LogP10.38
Rot. Bonds6

About N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine

N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine (PubChem CID 58921964) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
PubChem CID58921964
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC NameN,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nccnc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N4/c1-4-12-29(13-5-1)39-40(42-27-26-41-39)30-20-22-33(23-21-30)43(31-14-6-2-7-15-31)34-24-25-38-36(28-34)35-18-10-11-19-37(35)44(38)32-16-8-3-9-17-32/h1-28H
InChIKeyIGHXBKORZLMZIK-UHFFFAOYSA-N
XLogP10.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-N-(2-phenylphenyl)-N-[4-[3-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]pyrazin-2-yl]phenyl]carbazol-3-amine
CID 58921997
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine (CID 58921964) is N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine is c1ccc(-c2nccnc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine?
The InChIKey is IGHXBKORZLMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-4-12-29(13-5-1)39-40(42-27-26-41-39)30-20-22-33(23-21-30)43(31-14-6-2-7-15-31)34-24-25-38-36(28-34)35-18-10-11-19-37(35)44(38)32-16-8-3-9-17-32/h1-28H.
What are the key properties of N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine has a molecular weight of 564.69 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58921964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).