9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole

C43H30N4 — CID 166917692

IUPAC9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
SMILESC1=CCC2C(=C1)c1ccccc1N2c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C43H30N4/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)41-44-42(46-43(45-41)35-26-23-30-13-4-5-14-33(30)27-35)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-19,21-28,40H,20H2
InChIKeyZJHVVGPSJPBHBQ-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.56
Rot. Bonds5

About 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole

9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole (PubChem CID 166917692) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
PubChem CID166917692
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
SMILESC1=CCC2C(=C1)c1ccccc1N2c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C43H30N4/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)41-44-42(46-43(45-41)35-26-23-30-13-4-5-14-33(30)27-35)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-19,21-28,40H,20H2
InChIKeyZJHVVGPSJPBHBQ-UHFFFAOYSA-N
XLogP10.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1,9a-dihydrocarbazole
CID 143136477
5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
CID 91156957
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole?
The IUPAC name of 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole (CID 166917692) is 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole.
What is the SMILES notation for 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole?
The canonical SMILES for 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole is C1=CCC2C(=C1)c1ccccc1N2c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole?
The InChIKey is ZJHVVGPSJPBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-2-11-29(12-3-1)31-21-24-32(25-22-31)41-44-42(46-43(45-41)35-26-23-30-13-4-5-14-33(30)27-35)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-19,21-28,40H,20H2.
What are the key properties of 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole?
9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole has a molecular weight of 602.74 g/mol, XLogP of 10.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole is sourced from PubChem (CID 166917692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).