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

C49H32N4 — CID 135144088

IUPAC9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8ccccc8c7)cc65)cc4)c3)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-35(14-4-1)47-50-48(36-15-5-2-6-16-36)52-49(51-47)41-19-11-18-38(31-41)34-24-27-42(28-25-34)53-45-21-10-9-20-43(45)44-29-26-40(32-46(44)53)39-23-22-33-12-7-8-17-37(33)30-39/h1-32H
InChIKeyALOHJFPTHORYJP-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds6

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

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole (PubChem CID 135144088) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
PubChem CID135144088
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8ccccc8c7)cc65)cc4)c3)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-35(14-4-1)47-50-48(36-15-5-2-6-16-36)52-49(51-47)41-19-11-18-38(31-41)34-24-27-42(28-25-34)53-45-21-10-9-20-43(45)44-29-26-40(32-46(44)53)39-23-22-33-12-7-8-17-37(33)30-39/h1-32H
InChIKeyALOHJFPTHORYJP-UHFFFAOYSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-diphenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 164953244
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole?
The IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole (CID 135144088) is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole.
What is the SMILES notation for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole?
The canonical SMILES for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8ccccc8c7)cc65)cc4)c3)n2)cc1.
What is the InChIKey of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole?
The InChIKey is ALOHJFPTHORYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-13-35(14-4-1)47-50-48(36-15-5-2-6-16-36)52-49(51-47)41-19-11-18-38(31-41)34-24-27-42(28-25-34)53-45-21-10-9-20-43(45)44-29-26-40(32-46(44)53)39-23-22-33-12-7-8-17-37(33)30-39/h1-32H.
What are the key properties of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole?
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole is sourced from PubChem (CID 135144088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).