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

C73H55N5 — CID 126730144

IUPAC9-[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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c(C)c4)cc3)cc2)cc1
InChIInChI=1S/C73H55N5/c1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-54(33-40-63)53-28-30-55(31-29-53)58-34-43-66(52(3)46-58)70-49-69(56-16-8-4-9-17-56)74-73(75-70)57-18-10-5-11-19-57/h4-49H,1-3H3
InChIKeyDKIJYKOZGUCIDY-UHFFFAOYSA-N
MW1002.28 g/mol
LogP19.77
Rot. Bonds12

About 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

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 (PubChem CID 126730144) has the molecular formula C73H55N5 and a molecular weight of 1002.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID126730144
Molecular FormulaC73H55N5
Molecular Weight1002.28 g/mol
Exact Mass1001.45
IUPAC Name9-[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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c(C)c4)cc3)cc2)cc1
InChIInChI=1S/C73H55N5/c1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-54(33-40-63)53-28-30-55(31-29-53)58-34-43-66(52(3)46-58)70-49-69(56-16-8-4-9-17-56)74-73(75-70)57-18-10-5-11-19-57/h4-49H,1-3H3
InChIKeyDKIJYKOZGUCIDY-UHFFFAOYSA-N
XLogP19.77
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.28
LogP ≤ 519.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276
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-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
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
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
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-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
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-(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-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c(C)c4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DKIJYKOZGUCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N5/c1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-54(33-40-63)53-28-30-55(31-29-53)58-34-43-66(52(3)46-58)70-49-69(56-16-8-4-9-17-56)74-73(75-70)57-18-10-5-11-19-57/h4-49H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1002.28 g/mol, XLogP of 19.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).