9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine

C184H143N15 — CID 158268332

IUPAC9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCc1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C)c2)cc1.Cc1cccc(-c2cc(-c3c(C)cc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C62H49N5.2C61H47N5/c1-42-19-17-21-46(35-42)57-41-58(64-62(63-57)47-22-18-20-43(2)36-47)61-44(3)37-54(38-45(61)4)67-59-33-31-52(65(48-23-9-5-10-24-48)49-25-11-6-12-26-49)39-55(59)56-40-53(32-34-60(56)67)66(50-27-13-7-14-28-50)51-29-15-8-16-30-51;1-42-24-28-45(29-25-42)56-41-57(63-61(62-56)46-30-26-43(2)27-31-46)47-32-35-58(44(3)38-47)66-59-36-33-52(64(48-16-8-4-9-17-48)49-18-10-5-11-19-49)39-54(59)55-40-53(34-37-60(55)66)65(50-20-12-6-13-21-50)51-22-14-7-15-23-51;1-42-24-28-49(29-25-42)64(47-20-12-6-13-21-47)52-33-36-59-55(39-52)56-40-53(65(48-22-14-7-15-23-48)50-30-26-43(2)27-31-50)34-37-60(56)66(59)51-32-35-54(44(3)38-51)58-41-57(45-16-8-4-9-17-45)62-61(63-58)46-18-10-5-11-19-46/h5-41H,1-4H3;2*4-41H,1-3H3
InChIKeyGISPUESHMLYJKU-UHFFFAOYSA-N
MW2564.27 g/mol
LogP49.63
Rot. Bonds30

About 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine

9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine (PubChem CID 158268332) has the molecular formula C184H143N15 and a molecular weight of 2564.27 g/mol. Its IUPAC name is 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
PubChem CID158268332
Molecular FormulaC184H143N15
Molecular Weight2564.27 g/mol
Exact Mass2562.17
IUPAC Name9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCc1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C)c2)cc1.Cc1cccc(-c2cc(-c3c(C)cc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C62H49N5.2C61H47N5/c1-42-19-17-21-46(35-42)57-41-58(64-62(63-57)47-22-18-20-43(2)36-47)61-44(3)37-54(38-45(61)4)67-59-33-31-52(65(48-23-9-5-10-24-48)49-25-11-6-12-26-49)39-55(59)56-40-53(32-34-60(56)67)66(50-27-13-7-14-28-50)51-29-15-8-16-30-51;1-42-24-28-45(29-25-42)56-41-57(63-61(62-56)46-30-26-43(2)27-31-46)47-32-35-58(44(3)38-47)66-59-36-33-52(64(48-16-8-4-9-17-48)49-18-10-5-11-19-49)39-54(59)55-40-53(34-37-60(55)66)65(50-20-12-6-13-21-50)51-22-14-7-15-23-51;1-42-24-28-49(29-25-42)64(47-20-12-6-13-21-47)52-33-36-59-55(39-52)56-40-53(65(48-22-14-7-15-23-48)50-30-26-43(2)27-31-50)34-37-60(56)66(59)51-32-35-54(44(3)38-51)58-41-57(45-16-8-4-9-17-45)62-61(63-58)46-18-10-5-11-19-46/h5-41H,1-4H3;2*4-41H,1-3H3
InChIKeyGISPUESHMLYJKU-UHFFFAOYSA-N
XLogP49.63
TPSA111.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002564.27
LogP ≤ 549.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine with MolForge

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Related Compounds

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-[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-(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-[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(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730580
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-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]-N,N-diphenylcarbazol-3-amine
CID 126730673
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730691
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-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine (CID 158268332) is 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine is Cc1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C)c2)cc1.Cc1cccc(-c2cc(-c3c(C)cc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine?
The InChIKey is GISPUESHMLYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N5.2C61H47N5/c1-42-19-17-21-46(35-42)57-41-58(64-62(63-57)47-22-18-20-43(2)36-47)61-44(3)37-54(38-45(61)4)67-59-33-31-52(65(48-23-9-5-10-24-48)49-25-11-6-12-26-49)39-55(59)56-40-53(32-34-60(56)67)66(50-27-13-7-14-28-50)51-29-15-8-16-30-51;1-42-24-28-45(29-25-42)56-41-57(63-61(62-56)46-30-26-43(2)27-31-46)47-32-35-58(44(3)38-47)66-59-36-33-52(64(48-16-8-4-9-17-48)49-18-10-5-11-19-49)39-54(59)55-40-53(34-37-60(55)66)65(50-20-12-6-13-21-50)51-22-14-7-15-23-51;1-42-24-28-49(29-25-42)64(47-20-12-6-13-21-47)52-33-36-59-55(39-52)56-40-53(65(48-22-14-7-15-23-48)50-30-26-43(2)27-31-50)34-37-60(56)66(59)51-32-35-54(44(3)38-51)58-41-57(45-16-8-4-9-17-45)62-61(63-58)46-18-10-5-11-19-46/h5-41H,1-4H3;2*4-41H,1-3H3.
What are the key properties of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine?
9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine has a molecular weight of 2564.27 g/mol, XLogP of 49.63, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine is sourced from PubChem (CID 158268332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).