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

C56H44N4 — CID 126730668

IUPAC9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cccc(-c2cc(-c3ccc(-c4cc(C)c(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c(C)c4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H44N4/c1-37-15-13-17-43(31-37)52-36-51(57-56(58-52)44-18-14-16-38(2)32-44)42-27-25-41(26-28-42)45-33-39(3)55(40(4)34-45)60-53-24-12-11-23-49(53)50-35-48(29-30-54(50)60)59(46-19-7-5-8-20-46)47-21-9-6-10-22-47/h5-36H,1-4H3
InChIKeyYRXMYLOPFLDMQR-UHFFFAOYSA-N
MW773.00 g/mol
LogP14.95
Rot. Bonds8

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

9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 126730668) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID126730668
Molecular FormulaC56H44N4
Molecular Weight773.00 g/mol
Exact Mass772.36
IUPAC Name9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cccc(-c2cc(-c3ccc(-c4cc(C)c(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c(C)c4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H44N4/c1-37-15-13-17-43(31-37)52-36-51(57-56(58-52)44-18-14-16-38(2)32-44)42-27-25-41(26-28-42)45-33-39(3)55(40(4)34-45)60-53-24-12-11-23-49(53)50-35-48(29-30-54(50)60)59(46-19-7-5-8-20-46)47-21-9-6-10-22-47/h5-36H,1-4H3
InChIKeyYRXMYLOPFLDMQR-UHFFFAOYSA-N
XLogP14.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730580
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-2,6-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 161377568
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 126730253
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2,6-dimethylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126730037
9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730685
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730691
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-2,5-dimethylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 157367061
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
9-[4-[4-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
CID 140779531
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118506889
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3,5-dimethylphenyl]phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730125

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine (CID 126730668) is 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine is Cc1cccc(-c2cc(-c3ccc(-c4cc(C)c(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c(C)c4)cc3)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is YRXMYLOPFLDMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-37-15-13-17-43(31-37)52-36-51(57-56(58-52)44-18-14-16-38(2)32-44)42-27-25-41(26-28-42)45-33-39(3)55(40(4)34-45)60-53-24-12-11-23-49(53)50-35-48(29-30-54(50)60)59(46-19-7-5-8-20-46)47-21-9-6-10-22-47/h5-36H,1-4H3.
What are the key properties of 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 773.00 g/mol, XLogP of 14.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 126730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).