N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine

C49H33N5 — CID 164807780

IUPACN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)n2)cc1
InChIInChI=1S/C49H33N5/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)54-45-23-13-12-22-43(45)44-31-27-39(33-46(44)54)35-24-28-41(29-25-35)53(40-20-8-3-9-21-40)42-30-26-34-14-10-11-19-38(34)32-42/h1-33H
InChIKeySIZHDHFGQJYLNY-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.59
Rot. Bonds7

About N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 164807780) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID164807780
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC NameN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)n2)cc1
InChIInChI=1S/C49H33N5/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)54-45-23-13-12-22-43(45)44-31-27-39(33-46(44)54)35-24-28-41(29-25-35)53(40-20-8-3-9-21-40)42-30-26-34-14-10-11-19-38(34)32-42/h1-33H
InChIKeySIZHDHFGQJYLNY-UHFFFAOYSA-N
XLogP12.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N,7-bis(4-phenylphenyl)carbazol-2-amine
CID 155409977
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155409935
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 155410982
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 164807780) is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)n2)cc1.
What is the InChIKey of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is SIZHDHFGQJYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)54-45-23-13-12-22-43(45)44-31-27-39(33-46(44)54)35-24-28-41(29-25-35)53(40-20-8-3-9-21-40)42-30-26-34-14-10-11-19-38(34)32-42/h1-33H.
What are the key properties of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 691.84 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 164807780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).