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

C55H42N4 — CID 126730654

IUPAC9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1ccccc1-c1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc2C)nc(-c2ccccc2C)n1
InChIInChI=1S/C55H42N4/c1-37-16-10-12-22-46(37)51-36-52(57-55(56-51)48-23-13-11-17-38(48)2)47-32-28-41(34-39(47)3)40-26-29-44(30-27-40)59-53-25-15-14-24-49(53)50-35-45(31-33-54(50)59)58(42-18-6-4-7-19-42)43-20-8-5-9-21-43/h4-36H,1-3H3
InChIKeyICXFHFLSKDPVBT-UHFFFAOYSA-N
MW758.97 g/mol
LogP14.64
Rot. Bonds8

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

9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 126730654) has the molecular formula C55H42N4 and a molecular weight of 758.97 g/mol. Its IUPAC name is 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID126730654
Molecular FormulaC55H42N4
Molecular Weight758.97 g/mol
Exact Mass758.34
IUPAC Name9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1ccccc1-c1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc2C)nc(-c2ccccc2C)n1
InChIInChI=1S/C55H42N4/c1-37-16-10-12-22-46(37)51-36-52(57-55(56-51)48-23-13-11-17-38(48)2)47-32-28-41(34-39(47)3)40-26-29-44(30-27-40)59-53-25-15-14-24-49(53)50-35-45(31-33-54(50)59)58(42-18-6-4-7-19-42)43-20-8-5-9-21-43/h4-36H,1-3H3
InChIKeyICXFHFLSKDPVBT-UHFFFAOYSA-N
XLogP14.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730583
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-[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
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
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
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-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730264
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730689
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
CID 145407645

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 126730654) is 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine is Cc1ccccc1-c1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc2C)nc(-c2ccccc2C)n1.
What is the InChIKey of 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is ICXFHFLSKDPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4/c1-37-16-10-12-22-46(37)51-36-52(57-55(56-51)48-23-13-11-17-38(48)2)47-32-28-41(34-39(47)3)40-26-29-44(30-27-40)59-53-25-15-14-24-49(53)50-35-45(31-33-54(50)59)58(42-18-6-4-7-19-42)43-20-8-5-9-21-43/h4-36H,1-3H3.
What are the key properties of 9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 758.97 g/mol, XLogP of 14.64, 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(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 126730654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).