9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine

C62H48N4 — CID 126730583

IUPAC9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6C)nc(-c6ccccc6C)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H48N4/c1-41-17-31-50(32-18-41)65(51-33-19-42(2)20-34-51)53-37-38-61-57(39-53)56-15-9-10-16-60(56)66(61)52-35-29-48(30-36-52)46-23-21-45(22-24-46)47-25-27-49(28-26-47)58-40-59(54-13-7-5-11-43(54)3)64-62(63-58)55-14-8-6-12-44(55)4/h5-40H,1-4H3
InChIKeyVQZBFCSOMHBATH-UHFFFAOYSA-N
MW849.09 g/mol
LogP16.61
Rot. Bonds9

About 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine (PubChem CID 126730583) has the molecular formula C62H48N4 and a molecular weight of 849.09 g/mol. Its IUPAC name is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
PubChem CID126730583
Molecular FormulaC62H48N4
Molecular Weight849.09 g/mol
Exact Mass848.39
IUPAC Name9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6C)nc(-c6ccccc6C)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H48N4/c1-41-17-31-50(32-18-41)65(51-33-19-42(2)20-34-51)53-37-38-61-57(39-53)56-15-9-10-16-60(56)66(61)52-35-29-48(30-36-52)46-23-21-45(22-24-46)47-25-27-49(28-26-47)58-40-59(54-13-7-5-11-43(54)3)64-62(63-58)55-14-8-6-12-44(55)4/h5-40H,1-4H3
InChIKeyVQZBFCSOMHBATH-UHFFFAOYSA-N
XLogP16.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.09
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730586
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730617
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 162219432
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730689
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730144
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2,6-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730169
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
9-[4-[4-[4-[2-(2-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 140779758
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121337606
2-[6-[4-[4-[4-[3-(4-cyano-N-(4-cyanophenyl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]-2-(2-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126734495

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine (CID 126730583) is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6C)nc(-c6ccccc6C)n5)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The InChIKey is VQZBFCSOMHBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N4/c1-41-17-31-50(32-18-41)65(51-33-19-42(2)20-34-51)53-37-38-61-57(39-53)56-15-9-10-16-60(56)66(61)52-35-29-48(30-36-52)46-23-21-45(22-24-46)47-25-27-49(28-26-47)58-40-59(54-13-7-5-11-43(54)3)64-62(63-58)55-14-8-6-12-44(55)4/h5-40H,1-4H3.
What are the key properties of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine has a molecular weight of 849.09 g/mol, XLogP of 16.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 126730583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).