N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline

C58H41N — CID 158236513

IUPACN,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4N(c4ccccc4)c4ccccc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C58H41N/c1-7-23-42(24-8-1)55-52-40-39-46(41-53(52)56(43-25-9-2-10-26-43)58(45-29-13-4-14-30-45)57(55)44-27-11-3-12-28-44)49-35-19-20-36-50(49)51-37-21-22-38-54(51)59(47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-41H
InChIKeyRUCVRDHOJXUOJY-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline

N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 158236513) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline
PubChem CID158236513
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4N(c4ccccc4)c4ccccc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C58H41N/c1-7-23-42(24-8-1)55-52-40-39-46(41-53(52)56(43-25-9-2-10-26-43)58(45-29-13-4-14-30-45)57(55)44-27-11-3-12-28-44)49-35-19-20-36-50(49)51-37-21-22-38-54(51)59(47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-41H
InChIKeyRUCVRDHOJXUOJY-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169062698
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
4-N-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[5-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,4-N-diphenyl-4-N-(2-phenylphenyl)benzene-1,4-diamine;4-N-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[2-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[3-(9,10-diphenylanthracen-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 158021439
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
CID 162082403
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline (CID 158236513) is N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4N(c4ccccc4)c4ccccc4)ccc3c2-c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline?
The InChIKey is RUCVRDHOJXUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-7-23-42(24-8-1)55-52-40-39-46(41-53(52)56(43-25-9-2-10-26-43)58(45-29-13-4-14-30-45)57(55)44-27-11-3-12-28-44)49-35-19-20-36-50(49)51-37-21-22-38-54(51)59(47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-41H.
What are the key properties of N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline?
N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 751.97 g/mol, XLogP of 16.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 158236513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).