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

C49H32N4 — CID 129099674

IUPAC2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)46-40-21-11-10-14-34(40)28-30-41(46)35-26-24-33(25-27-35)38-29-31-43-42-22-12-13-23-44(42)53(45(43)32-38)39-19-8-3-9-20-39/h1-32H
InChIKeyOFVLNICDHSWWNT-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds6

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

2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 129099674) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
PubChem CID129099674
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)46-40-21-11-10-14-34(40)28-30-41(46)35-26-24-33(25-27-35)38-29-31-43-42-22-12-13-23-44(42)53(45(43)32-38)39-19-8-3-9-20-39/h1-32H
InChIKeyOFVLNICDHSWWNT-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-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916096
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole (CID 129099674) is 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is OFVLNICDHSWWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-15-36(16-5-1)47-50-48(37-17-6-2-7-18-37)52-49(51-47)46-40-21-11-10-14-34(40)28-30-41(46)35-26-24-33(25-27-35)38-29-31-43-42-22-12-13-23-44(42)53(45(43)32-38)39-19-8-3-9-20-39/h1-32H.
What are the key properties of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole?
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole 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 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 129099674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).