2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole

C48H35N5 — CID 162699461

IUPAC2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2nc(-c3ccc4c5ccc(C)cc5n(-c5ccccc5)c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C48H35N5/c1-30-21-23-38-39-24-22-33(29-44(39)52(43(38)28-30)35-13-6-4-7-14-35)46-49-47(34-26-31(2)25-32(3)27-34)51-48(50-46)41-19-12-18-40-37-17-10-11-20-42(37)53(45(40)41)36-15-8-5-9-16-36/h4-29H,1-3H3
InChIKeyKIOAOXWXMZUMQV-UHFFFAOYSA-N
MW681.84 g/mol
LogP11.99
Rot. Bonds5

About 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole

2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole (PubChem CID 162699461) has the molecular formula C48H35N5 and a molecular weight of 681.84 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole
PubChem CID162699461
Molecular FormulaC48H35N5
Molecular Weight681.84 g/mol
Exact Mass681.29
IUPAC Name2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2nc(-c3ccc4c5ccc(C)cc5n(-c5ccccc5)c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C48H35N5/c1-30-21-23-38-39-24-22-33(29-44(39)52(43(38)28-30)35-13-6-4-7-14-35)46-49-47(34-26-31(2)25-32(3)27-34)51-48(50-46)41-19-12-18-40-37-17-10-11-20-42(37)53(45(40)41)36-15-8-5-9-16-36/h4-29H,1-3H3
InChIKeyKIOAOXWXMZUMQV-UHFFFAOYSA-N
XLogP11.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597221
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
12-[4-[4-(3,5-dimethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 134509772
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 161196328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole (CID 162699461) is 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole is Cc1cc(C)cc(-c2nc(-c3ccc4c5ccc(C)cc5n(-c5ccccc5)c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole?
The InChIKey is KIOAOXWXMZUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5/c1-30-21-23-38-39-24-22-33(29-44(39)52(43(38)28-30)35-13-6-4-7-14-35)46-49-47(34-26-31(2)25-32(3)27-34)51-48(50-46)41-19-12-18-40-37-17-10-11-20-42(37)53(45(40)41)36-15-8-5-9-16-36/h4-29H,1-3H3.
What are the key properties of 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole?
2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole has a molecular weight of 681.84 g/mol, XLogP of 11.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole is sourced from PubChem (CID 162699461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).