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

C62H43N — CID 169061750

IUPACN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-6-20-44(21-7-1)50-30-18-31-54(41-50)63(55-42-51(45-22-8-2-9-23-45)40-52(43-55)46-24-10-3-11-25-46)53-38-36-47(37-39-53)56-34-19-35-59-61(49-28-14-5-15-29-49)60(48-26-12-4-13-27-48)57-32-16-17-33-58(57)62(56)59/h1-43H
InChIKeyCBKXINDVCUEWGM-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline (PubChem CID 169061750) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
PubChem CID169061750
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-6-20-44(21-7-1)50-30-18-31-54(41-50)63(55-42-51(45-22-8-2-9-23-45)40-52(43-55)46-24-10-3-11-25-46)53-38-36-47(37-39-53)56-34-19-35-59-61(49-28-14-5-15-29-49)60(48-26-12-4-13-27-48)57-32-16-17-33-58(57)62(56)59/h1-43H
InChIKeyCBKXINDVCUEWGM-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
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-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763
N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
CID 153357597
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
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-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469
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-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline (CID 169061750) is N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The InChIKey is CBKXINDVCUEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-20-44(21-7-1)50-30-18-31-54(41-50)63(55-42-51(45-22-8-2-9-23-45)40-52(43-55)46-24-10-3-11-25-46)53-38-36-47(37-39-53)56-34-19-35-59-61(49-28-14-5-15-29-49)60(48-26-12-4-13-27-48)57-32-16-17-33-58(57)62(56)59/h1-43H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline?
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 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-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 169061750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).