N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine

C62H43N — CID 169063848

IUPACN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2)cc1
InChIInChI=1S/C62H43N/c1-6-19-44(20-7-1)45-33-37-51(38-34-45)63(52-39-35-47(36-40-52)55-32-18-31-54(46-21-8-2-9-22-46)60(55)48-23-10-3-11-24-48)53-41-42-57-56-29-16-17-30-58(56)61(49-25-12-4-13-26-49)62(59(57)43-53)50-27-14-5-15-28-50/h1-43H
InChIKeyCFKXDXPFEWXUMZ-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine

N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 169063848) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID169063848
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2)cc1
InChIInChI=1S/C62H43N/c1-6-19-44(20-7-1)45-33-37-51(38-34-45)63(52-39-35-47(36-40-52)55-32-18-31-54(46-21-8-2-9-22-46)60(55)48-23-10-3-11-24-48)53-41-42-57-56-29-16-17-30-58(56)61(49-25-12-4-13-26-49)62(59(57)43-53)50-27-14-5-15-28-50/h1-43H
InChIKeyCFKXDXPFEWXUMZ-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-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
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
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine (CID 169063848) is N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is CFKXDXPFEWXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-19-44(20-7-1)45-33-37-51(38-34-45)63(52-39-35-47(36-40-52)55-32-18-31-54(46-21-8-2-9-22-46)60(55)48-23-10-3-11-24-48)53-41-42-57-56-29-16-17-30-58(56)61(49-25-12-4-13-26-49)62(59(57)43-53)50-27-14-5-15-28-50/h1-43H.
What are the key properties of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine?
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine 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-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 169063848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).