N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C68H47N — CID 169064457

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-6-19-48(20-7-1)51-33-35-52(36-34-51)53-37-40-60(41-38-53)69(62-45-58(49-21-8-2-9-22-49)43-59(46-62)50-23-10-3-11-24-50)61-30-18-29-56(44-61)57-39-42-64-63-31-16-17-32-65(63)67(54-25-12-4-13-26-54)68(66(64)47-57)55-27-14-5-15-28-55/h1-47H
InChIKeyYLXKMQBJOKUTNT-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.13
Rot. Bonds10

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 169064457) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID169064457
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-6-19-48(20-7-1)51-33-35-52(36-34-51)53-37-40-60(41-38-53)69(62-45-58(49-21-8-2-9-22-49)43-59(46-62)50-23-10-3-11-24-50)61-30-18-29-56(44-61)57-39-42-64-63-31-16-17-32-65(63)67(54-25-12-4-13-26-54)68(66(64)47-57)55-27-14-5-15-28-55/h1-47H
InChIKeyYLXKMQBJOKUTNT-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169062698
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 169064457) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is YLXKMQBJOKUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-19-48(20-7-1)51-33-35-52(36-34-51)53-37-40-60(41-38-53)69(62-45-58(49-21-8-2-9-22-49)43-59(46-62)50-23-10-3-11-24-50)61-30-18-29-56(44-61)57-39-42-64-63-31-16-17-32-65(63)67(54-25-12-4-13-26-54)68(66(64)47-57)55-27-14-5-15-28-55/h1-47H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 878.13 g/mol, XLogP of 19.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 169064457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).