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

C49H31N5 — CID 168764938

IUPAC1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)cccc43)n2)cc1
InChIInChI=1S/C49H31N5/c1-3-16-33(17-4-1)47-50-48(34-18-5-2-6-19-34)52-49(51-47)54-43-27-12-10-22-41(43)45-38(23-14-28-44(45)54)40-25-13-24-39-37-21-9-11-26-42(37)53(46(39)40)36-30-29-32-15-7-8-20-35(32)31-36/h1-31H
InChIKeyBIQYFIBLDKGYRH-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.22
Rot. Bonds5

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

1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 168764938) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
PubChem CID168764938
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)cccc43)n2)cc1
InChIInChI=1S/C49H31N5/c1-3-16-33(17-4-1)47-50-48(34-18-5-2-6-19-34)52-49(51-47)54-43-27-12-10-22-41(43)45-38(23-14-28-44(45)54)40-25-13-24-39-37-21-9-11-26-42(37)53(46(39)40)36-30-29-32-15-7-8-20-35(32)31-36/h1-31H
InChIKeyBIQYFIBLDKGYRH-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-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807697
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-phenylpyrido[4,3-b]indole;4-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-4-(9-phenylcarbazol-4-yl)pyrido[4,3-b]indole;5-phenyl-4-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[4,3-b]indole
CID 158225436
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 157305753
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 160854312
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 161196328
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-phenylpyrido[4,3-b]indole
CID 129221745
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

Frequently Asked Questions

What is the IUPAC name of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole (CID 168764938) is 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)cccc43)n2)cc1.
What is the InChIKey of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole?
The InChIKey is BIQYFIBLDKGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-3-16-33(17-4-1)47-50-48(34-18-5-2-6-19-34)52-49(51-47)54-43-27-12-10-22-41(43)45-38(23-14-28-44(45)54)40-25-13-24-39-37-21-9-11-26-42(37)53(46(39)40)36-30-29-32-15-7-8-20-35(32)31-36/h1-31H.
What are the key properties of 1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole?
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole 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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 168764938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).