N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline

C52H36N2 — CID 166133613

IUPACN-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C52H36N2/c1-3-18-37(19-4-1)40-25-10-14-31-48(40)54(49-32-15-11-26-41(49)38-20-5-2-6-21-38)50-33-16-12-28-46(50)51-44(42-29-17-23-36-22-7-8-24-39(36)42)34-35-45-43-27-9-13-30-47(43)53-52(45)51/h1-35,53H
InChIKeyDTHIZLSIMCWCOX-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.61
Rot. Bonds7

About N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline

N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 166133613) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID166133613
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C52H36N2/c1-3-18-37(19-4-1)40-25-10-14-31-48(40)54(49-32-15-11-26-41(49)38-20-5-2-6-21-38)50-33-16-12-28-46(50)51-44(42-29-17-23-36-22-7-8-24-39(36)42)34-35-45-43-27-9-13-30-47(43)53-52(45)51/h1-35,53H
InChIKeyDTHIZLSIMCWCOX-UHFFFAOYSA-N
XLogP14.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
CID 175875645
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
N-[2-(2,3-diphenyl-9H-carbazol-1-yl)phenyl]-N,2-diphenylaniline
CID 166134777
N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
CID 166133424
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
CID 166133960
2-phenyl-9H-carbazol-1-ol
CID 118682381
1-(1H-indol-2-yl)-2-phenyl-9H-carbazole
CID 175594623
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155305179
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (CID 166133613) is N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2c(-c3cccc4ccccc34)ccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is DTHIZLSIMCWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-18-37(19-4-1)40-25-10-14-31-48(40)54(49-32-15-11-26-41(49)38-20-5-2-6-21-38)50-33-16-12-28-46(50)51-44(42-29-17-23-36-22-7-8-24-39(36)42)34-35-45-43-27-9-13-30-47(43)53-52(45)51/h1-35,53H.
What are the key properties of N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 166133613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).