9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine

C46H33N5 — CID 126690357

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
SMILESCc1ccccc1-c1cc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H33N5/c1-32-18-14-15-27-37(32)39-30-40-38-28-16-17-29-41(38)51(43(40)31-42(39)50(35-23-10-4-11-24-35)36-25-12-5-13-26-36)46-48-44(33-19-6-2-7-20-33)47-45(49-46)34-21-8-3-9-22-34/h2-31H,1H3
InChIKeyVAYKJKROCKLJNX-UHFFFAOYSA-N
MW655.81 g/mol
LogP11.75
Rot. Bonds7

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine (PubChem CID 126690357) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
PubChem CID126690357
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
SMILESCc1ccccc1-c1cc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H33N5/c1-32-18-14-15-27-37(32)39-30-40-38-28-16-17-29-41(38)51(43(40)31-42(39)50(35-23-10-4-11-24-35)36-25-12-5-13-26-36)46-48-44(33-19-6-2-7-20-33)47-45(49-46)34-21-8-3-9-22-34/h2-31H,1H3
InChIKeyVAYKJKROCKLJNX-UHFFFAOYSA-N
XLogP11.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690294
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine
CID 130244628
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
CID 170204693
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
CID 170201877
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 162064311
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-4-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 159938048
9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine
CID 164958073
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine (CID 126690357) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine is Cc1ccccc1-c1cc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2cc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The InChIKey is VAYKJKROCKLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-32-18-14-15-27-37(32)39-30-40-38-28-16-17-29-41(38)51(43(40)31-42(39)50(35-23-10-4-11-24-35)36-25-12-5-13-26-36)46-48-44(33-19-6-2-7-20-33)47-45(49-46)34-21-8-3-9-22-34/h2-31H,1H3.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine has a molecular weight of 655.81 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 126690357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).