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

C68H47N — CID 169064542

IUPACN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-21-48(22-7-1)55-31-18-32-58(47-55)69(56-43-39-50(40-44-56)60-36-19-35-59(49-23-8-2-9-24-49)65(60)52-25-10-3-11-26-52)57-45-41-51(42-46-57)61-37-20-38-64-62-33-16-17-34-63(62)66(53-27-12-4-13-28-53)67(68(61)64)54-29-14-5-15-30-54/h1-47H
InChIKeyRRCKTLGNZPUCMQ-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.13
Rot. Bonds10

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

N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline (PubChem CID 169064542) 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-(2,3-diphenylphenyl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
PubChem CID169064542
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-21-48(22-7-1)55-31-18-32-58(47-55)69(56-43-39-50(40-44-56)60-36-19-35-59(49-23-8-2-9-24-49)65(60)52-25-10-3-11-26-52)57-45-41-51(42-46-57)61-37-20-38-64-62-33-16-17-34-63(62)66(53-27-12-4-13-28-53)67(68(61)64)54-29-14-5-15-30-54/h1-47H
InChIKeyRRCKTLGNZPUCMQ-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
CID 153357597
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]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 140943835

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline (CID 169064542) is N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline?
The InChIKey is RRCKTLGNZPUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-21-48(22-7-1)55-31-18-32-58(47-55)69(56-43-39-50(40-44-56)60-36-19-35-59(49-23-8-2-9-24-49)65(60)52-25-10-3-11-26-52)57-45-41-51(42-46-57)61-37-20-38-64-62-33-16-17-34-63(62)66(53-27-12-4-13-28-53)67(68(61)64)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-(2,3-diphenylphenyl)phenyl]-3-phenylaniline?
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-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-(2,3-diphenylphenyl)phenyl]-3-phenylaniline is sourced from PubChem (CID 169064542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).