9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole

C59H43N5 — CID 166777780

IUPAC9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4C)c3-n3c4ccccc4c4ccccc43)n2)c1-n1c2c(c3ccccc31)C=CCC2
InChIInChI=1S/C59H43N5/c1-38-20-6-8-24-41(38)47-30-18-32-49(55(47)63-51-34-14-10-26-43(51)44-27-11-15-35-52(44)63)58-60-57(40-22-4-3-5-23-40)61-59(62-58)50-33-19-31-48(42-25-9-7-21-39(42)2)56(50)64-53-36-16-12-28-45(53)46-29-13-17-37-54(46)64/h3-16,18-36H,17,37H2,1-2H3
InChIKeyUSXUGMWFTHAEIT-UHFFFAOYSA-N
MW822.03 g/mol
LogP14.82
Rot. Bonds7

About 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole

9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole (PubChem CID 166777780) has the molecular formula C59H43N5 and a molecular weight of 822.03 g/mol. Its IUPAC name is 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
PubChem CID166777780
Molecular FormulaC59H43N5
Molecular Weight822.03 g/mol
Exact Mass821.35
IUPAC Name9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4C)c3-n3c4ccccc4c4ccccc43)n2)c1-n1c2c(c3ccccc31)C=CCC2
InChIInChI=1S/C59H43N5/c1-38-20-6-8-24-41(38)47-30-18-32-49(55(47)63-51-34-14-10-26-43(51)44-27-11-15-35-52(44)63)58-60-57(40-22-4-3-5-23-40)61-59(62-58)50-33-19-31-48(42-25-9-7-21-39(42)2)56(50)64-53-36-16-12-28-45(53)46-29-13-17-37-54(46)64/h3-16,18-36H,17,37H2,1-2H3
InChIKeyUSXUGMWFTHAEIT-UHFFFAOYSA-N
XLogP14.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.03
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 167168647
3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 166917771
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633
3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166701788
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole?
The IUPAC name of 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole (CID 166777780) is 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole is Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4C)c3-n3c4ccccc4c4ccccc43)n2)c1-n1c2c(c3ccccc31)C=CCC2.
What is the InChIKey of 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole?
The InChIKey is USXUGMWFTHAEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N5/c1-38-20-6-8-24-41(38)47-30-18-32-49(55(47)63-51-34-14-10-26-43(51)44-27-11-15-35-52(44)63)58-60-57(40-22-4-3-5-23-40)61-59(62-58)50-33-19-31-48(42-25-9-7-21-39(42)2)56(50)64-53-36-16-12-28-45(53)46-29-13-17-37-54(46)64/h3-16,18-36H,17,37H2,1-2H3.
What are the key properties of 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole?
9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole has a molecular weight of 822.03 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 166777780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).