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

C53H35N5 — CID 162775213

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C53H35N5/c1-4-18-38(19-5-1)51-54-52(39-20-6-2-7-21-39)56-53(55-51)42-34-48(50-46-26-14-15-27-47(46)58(49(50)35-42)43-24-8-3-9-25-43)57(44-30-28-36-16-10-12-22-40(36)32-44)45-31-29-37-17-11-13-23-41(37)33-45/h1-35H
InChIKeyFGYGUEOHNAMDPV-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.75
Rot. Bonds7

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

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine (PubChem CID 162775213) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine
PubChem CID162775213
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C53H35N5/c1-4-18-38(19-5-1)51-54-52(39-20-6-2-7-21-39)56-53(55-51)42-34-48(50-46-26-14-15-27-47(46)58(49(50)35-42)43-24-8-3-9-25-43)57(44-30-28-36-16-10-12-22-40(36)32-44)45-31-29-37-17-11-13-23-41(37)33-45/h1-35H
InChIKeyFGYGUEOHNAMDPV-UHFFFAOYSA-N
XLogP13.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b]carbazol-11-amine
CID 155034940
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;9-phenylcarbazole
CID 158239659
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
CID 142314945
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
CID 167363399

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine (CID 162775213) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine?
The InChIKey is FGYGUEOHNAMDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-4-18-38(19-5-1)51-54-52(39-20-6-2-7-21-39)56-53(55-51)42-34-48(50-46-26-14-15-27-47(46)58(49(50)35-42)43-24-8-3-9-25-43)57(44-30-28-36-16-10-12-22-40(36)32-44)45-31-29-37-17-11-13-23-41(37)33-45/h1-35H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine has a molecular weight of 741.90 g/mol, XLogP of 13.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine is sourced from PubChem (CID 162775213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).