1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole

C49H31N5 — CID 168807703

IUPAC1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1
InChIInChI=1S/C49H31N5/c1-3-15-33(16-4-1)47-50-48(35-27-26-32-14-7-8-17-34(32)30-35)52-49(51-47)36-28-29-40-38-20-9-12-24-43(38)54(45(40)31-36)44-25-13-22-41-39-21-10-11-23-42(39)53(46(41)44)37-18-5-2-6-19-37/h1-31H
InChIKeyYWHOYEHHZLAHSI-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.22
Rot. Bonds5

About 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole

1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (PubChem CID 168807703) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
PubChem CID168807703
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1
InChIInChI=1S/C49H31N5/c1-3-15-33(16-4-1)47-50-48(35-27-26-32-14-7-8-17-34(32)30-35)52-49(51-47)36-28-29-40-38-20-9-12-24-43(38)54(45(40)31-36)44-25-13-22-41-39-21-10-11-23-42(39)53(46(41)44)37-18-5-2-6-19-37/h1-31H
InChIKeyYWHOYEHHZLAHSI-UHFFFAOYSA-N
XLogP12.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807680
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807767
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621297
10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (CID 168807703) is 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1.
What is the InChIKey of 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is YWHOYEHHZLAHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-3-15-33(16-4-1)47-50-48(35-27-26-32-14-7-8-17-34(32)30-35)52-49(51-47)36-28-29-40-38-20-9-12-24-43(38)54(45(40)31-36)44-25-13-22-41-39-21-10-11-23-42(39)53(46(41)44)37-18-5-2-6-19-37/h1-31H.
What are the key properties of 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 689.82 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 168807703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).