9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C59H44N6 — CID 118630106

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H44N6/c1-41-37-51(38-42(2)56(41)59-61-57(43-21-9-3-10-22-43)60-58(62-59)44-23-11-4-12-24-44)65-54-35-33-49(63(45-25-13-5-14-26-45)46-27-15-6-16-28-46)39-52(54)53-40-50(34-36-55(53)65)64(47-29-17-7-18-30-47)48-31-19-8-20-32-48/h3-40H,1-2H3
InChIKeyDBKYFVBVANAGRD-UHFFFAOYSA-N
MW837.04 g/mol
LogP15.53
Rot. Bonds10

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 118630106) has the molecular formula C59H44N6 and a molecular weight of 837.04 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID118630106
Molecular FormulaC59H44N6
Molecular Weight837.04 g/mol
Exact Mass836.36
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H44N6/c1-41-37-51(38-42(2)56(41)59-61-57(43-21-9-3-10-22-43)60-58(62-59)44-23-11-4-12-24-44)65-54-35-33-49(63(45-25-13-5-14-26-45)46-27-15-6-16-28-46)39-52(54)53-40-50(34-36-55(53)65)64(47-29-17-7-18-30-47)48-31-19-8-20-32-48/h3-40H,1-2H3
InChIKeyDBKYFVBVANAGRD-UHFFFAOYSA-N
XLogP15.53
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
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)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630120
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
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
3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-N,N-diphenylcarbazol-3-amine
CID 90211143
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400394

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 118630106) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is DBKYFVBVANAGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N6/c1-41-37-51(38-42(2)56(41)59-61-57(43-21-9-3-10-22-43)60-58(62-59)44-23-11-4-12-24-44)65-54-35-33-49(63(45-25-13-5-14-26-45)46-27-15-6-16-28-46)39-52(54)53-40-50(34-36-55(53)65)64(47-29-17-7-18-30-47)48-31-19-8-20-32-48/h3-40H,1-2H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 837.04 g/mol, XLogP of 15.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 118630106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).