9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine

C48H33N9 — CID 170204693

IUPAC9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
SMILESCc1ccccc1N(c1ccccc1)c1cccc2c3ccccc3n(-c3nc(-c4cnc(-c5ccccc5)nc4)nc(-c4cnc(-c5ccccc5)nc4)n3)c12
InChIInChI=1S/C48H33N9/c1-32-16-11-13-25-40(32)56(37-21-9-4-10-22-37)42-27-15-24-39-38-23-12-14-26-41(38)57(43(39)42)48-54-46(35-28-49-44(50-29-35)33-17-5-2-6-18-33)53-47(55-48)36-30-51-45(52-31-36)34-19-7-3-8-20-34/h2-31H,1H3
InChIKeyNHICLBOZVSXEDG-UHFFFAOYSA-N
MW735.86 g/mol
LogP10.99
Rot. Bonds8

About 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine

9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine (PubChem CID 170204693) has the molecular formula C48H33N9 and a molecular weight of 735.86 g/mol. Its IUPAC name is 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine.

Molecular Properties

Compound Name9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
PubChem CID170204693
Molecular FormulaC48H33N9
Molecular Weight735.86 g/mol
Exact Mass735.29
IUPAC Name9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
SMILESCc1ccccc1N(c1ccccc1)c1cccc2c3ccccc3n(-c3nc(-c4cnc(-c5ccccc5)nc4)nc(-c4cnc(-c5ccccc5)nc4)n3)c12
InChIInChI=1S/C48H33N9/c1-32-16-11-13-25-40(32)56(37-21-9-4-10-22-37)42-27-15-24-39-38-23-12-14-26-41(38)57(43(39)42)48-54-46(35-28-49-44(50-29-35)33-17-5-2-6-18-33)53-47(55-48)36-30-51-45(52-31-36)34-19-7-3-8-20-34/h2-31H,1H3
InChIKeyNHICLBOZVSXEDG-UHFFFAOYSA-N
XLogP10.99
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.86
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690357
N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
CID 118547581
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
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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690294
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole
CID 118098237
N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145327435
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine?
The IUPAC name of 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine (CID 170204693) is 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine.
What is the SMILES notation for 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine?
The canonical SMILES for 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine is Cc1ccccc1N(c1ccccc1)c1cccc2c3ccccc3n(-c3nc(-c4cnc(-c5ccccc5)nc4)nc(-c4cnc(-c5ccccc5)nc4)n3)c12.
What is the InChIKey of 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine?
The InChIKey is NHICLBOZVSXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N9/c1-32-16-11-13-25-40(32)56(37-21-9-4-10-22-37)42-27-15-24-39-38-23-12-14-26-41(38)57(43(39)42)48-54-46(35-28-49-44(50-29-35)33-17-5-2-6-18-33)53-47(55-48)36-30-51-45(52-31-36)34-19-7-3-8-20-34/h2-31H,1H3.
What are the key properties of 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine?
9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine has a molecular weight of 735.86 g/mol, XLogP of 10.99, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine is sourced from PubChem (CID 170204693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).