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

C47H34N4 — CID 126730673

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H34N4/c1-33-30-38(26-28-40(33)44-32-43(34-16-6-2-7-17-34)48-47(49-44)35-18-8-3-9-19-35)51-45-25-15-14-24-41(45)42-31-39(27-29-46(42)51)50(36-20-10-4-11-21-36)37-22-12-5-13-23-37/h2-32H,1H3
InChIKeyOCOSNERMOQSTKJ-UHFFFAOYSA-N
MW654.82 g/mol
LogP12.35
Rot. Bonds7

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

9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 126730673) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID126730673
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H34N4/c1-33-30-38(26-28-40(33)44-32-43(34-16-6-2-7-17-34)48-47(49-44)35-18-8-3-9-19-35)51-45-25-15-14-24-41(45)42-31-39(27-29-46(42)51)50(36-20-10-4-11-21-36)37-22-12-5-13-23-37/h2-32H,1H3
InChIKeyOCOSNERMOQSTKJ-UHFFFAOYSA-N
XLogP12.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730689
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276
9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730685
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
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-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730142
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
CID 158871700
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine (CID 126730673) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine is Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is OCOSNERMOQSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-33-30-38(26-28-40(33)44-32-43(34-16-6-2-7-17-34)48-47(49-44)35-18-8-3-9-19-35)51-45-25-15-14-24-41(45)42-31-39(27-29-46(42)51)50(36-20-10-4-11-21-36)37-22-12-5-13-23-37/h2-32H,1H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 654.82 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 126730673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).