6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine

C40H28N4 — CID 59194555

IUPAC6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C40H28N4/c1-4-15-29(16-5-1)31-19-14-22-33(27-31)43(32-20-8-3-9-21-32)38-28-39(42-40(41-38)30-17-6-2-7-18-30)44-36-25-12-10-23-34(36)35-24-11-13-26-37(35)44/h1-28H
InChIKeyLVKNYRFOCOSUMF-UHFFFAOYSA-N
MW564.69 g/mol
LogP10.38
Rot. Bonds6

About 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine

6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine (PubChem CID 59194555) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine
PubChem CID59194555
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C40H28N4/c1-4-15-29(16-5-1)31-19-14-22-33(27-31)43(32-20-8-3-9-21-32)38-28-39(42-40(41-38)30-17-6-2-7-18-30)44-36-25-12-10-23-34(36)35-24-11-13-26-37(35)44/h1-28H
InChIKeyLVKNYRFOCOSUMF-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

3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
CID 164970211
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161375689
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158952641
9-[6-(3,6-diphenylcarbazol-9-yl)-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 59330290
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 162064311
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine (CID 59194555) is 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine is c1ccc(-c2cccc(N(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine?
The InChIKey is LVKNYRFOCOSUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-4-15-29(16-5-1)31-19-14-22-33(27-31)43(32-20-8-3-9-21-32)38-28-39(42-40(41-38)30-17-6-2-7-18-30)44-36-25-12-10-23-34(36)35-24-11-13-26-37(35)44/h1-28H.
What are the key properties of 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine?
6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-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 6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 59194555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).