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

C55H37N5 — CID 121459359

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H37N5/c1-5-16-38(17-6-1)43-30-34-51-48(36-43)49-37-46(59(44-24-11-4-12-25-44)50-27-15-23-39-18-13-14-26-47(39)50)33-35-52(49)60(51)45-31-28-42(29-32-45)55-57-53(40-19-7-2-8-20-40)56-54(58-55)41-21-9-3-10-22-41/h1-37H
InChIKeyKHHGQHSHVYSAGC-UHFFFAOYSA-N
MW767.94 g/mol
LogP14.26
Rot. Bonds8

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine (PubChem CID 121459359) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
PubChem CID121459359
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H37N5/c1-5-16-38(17-6-1)43-30-34-51-48(36-43)49-37-46(59(44-24-11-4-12-25-44)50-27-15-23-39-18-13-14-26-47(39)50)33-35-52(49)60(51)45-31-28-42(29-32-45)55-57-53(40-19-7-2-8-20-40)56-54(58-55)41-21-9-3-10-22-41/h1-37H
InChIKeyKHHGQHSHVYSAGC-UHFFFAOYSA-N
XLogP14.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163923902

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine (CID 121459359) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine is c1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine?
The InChIKey is KHHGQHSHVYSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-5-16-38(17-6-1)43-30-34-51-48(36-43)49-37-46(59(44-24-11-4-12-25-44)50-27-15-23-39-18-13-14-26-47(39)50)33-35-52(49)60(51)45-31-28-42(29-32-45)55-57-53(40-19-7-2-8-20-40)56-54(58-55)41-21-9-3-10-22-41/h1-37H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine has a molecular weight of 767.94 g/mol, XLogP of 14.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine is sourced from PubChem (CID 121459359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).