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

C62H43N — CID 169062049

IUPACN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c56)cc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H43N/c1-6-19-45(20-7-1)54-42-37-50(43-59(54)46-21-8-2-9-22-46)44-33-38-52(39-34-44)63(51-27-14-5-15-28-51)53-40-35-47(36-41-53)55-31-18-32-58-61(49-25-12-4-13-26-49)60(48-23-10-3-11-24-48)56-29-16-17-30-57(56)62(55)58/h1-43H
InChIKeyGMGCEUTUVPVDLI-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline (PubChem CID 169062049) 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]-4-(3,4-diphenylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
PubChem CID169062049
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c56)cc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H43N/c1-6-19-45(20-7-1)54-42-37-50(43-59(54)46-21-8-2-9-22-46)44-33-38-52(39-34-44)63(51-27-14-5-15-28-51)53-40-35-47(36-41-53)55-31-18-32-58-61(49-25-12-4-13-26-49)60(48-23-10-3-11-24-48)56-29-16-17-30-57(56)62(55)58/h1-43H
InChIKeyGMGCEUTUVPVDLI-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]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763
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]-3,5-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-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline (CID 169062049) is N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c(-c7ccccc7)c(-c7ccccc7)c7ccccc7c56)cc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline?
The InChIKey is GMGCEUTUVPVDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-19-45(20-7-1)54-42-37-50(43-59(54)46-21-8-2-9-22-46)44-33-38-52(39-34-44)63(51-27-14-5-15-28-51)53-40-35-47(36-41-53)55-31-18-32-58-61(49-25-12-4-13-26-49)60(48-23-10-3-11-24-48)56-29-16-17-30-57(56)62(55)58/h1-43H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline?
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline 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]-4-(3,4-diphenylphenyl)-N-phenylaniline is sourced from PubChem (CID 169062049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).