N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline

C68H47N — CID 169064711

IUPACN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C68H47N/c1-6-21-49(22-7-1)58-46-41-55(47-64(58)51-25-10-3-11-26-51)48-37-42-56(43-38-48)69(65-36-19-18-31-59(65)50-23-8-2-9-24-50)57-44-39-52(40-45-57)60-34-20-35-63-61-32-16-17-33-62(61)66(53-27-12-4-13-28-53)67(68(60)63)54-29-14-5-15-30-54/h1-47H
InChIKeyJOKPTDYSYXODMQ-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.13
Rot. Bonds10

About N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline

N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline (PubChem CID 169064711) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
PubChem CID169064711
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C68H47N/c1-6-21-49(22-7-1)58-46-41-55(47-64(58)51-25-10-3-11-26-51)48-37-42-56(43-38-48)69(65-36-19-18-31-59(65)50-23-8-2-9-24-50)57-44-39-52(40-45-57)60-34-20-35-63-61-32-16-17-33-62(61)66(53-27-12-4-13-28-53)67(68(60)63)54-29-14-5-15-30-54/h1-47H
InChIKeyJOKPTDYSYXODMQ-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-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169064818
N-[4-(3,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169063236
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline (CID 169064711) is N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline?
The InChIKey is JOKPTDYSYXODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-21-49(22-7-1)58-46-41-55(47-64(58)51-25-10-3-11-26-51)48-37-42-56(43-38-48)69(65-36-19-18-31-59(65)50-23-8-2-9-24-50)57-44-39-52(40-45-57)60-34-20-35-63-61-32-16-17-33-62(61)66(53-27-12-4-13-28-53)67(68(60)63)54-29-14-5-15-30-54/h1-47H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline?
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline 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-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 169064711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).