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

C62H43N — CID 169063647

IUPACN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2)cc1
InChIInChI=1S/C62H43N/c1-6-21-44(22-7-1)52-31-18-19-36-59(52)63(50-39-37-46(38-40-50)54-35-20-34-53(45-23-8-2-9-24-45)60(54)47-25-10-3-11-26-47)51-41-42-57-58(43-51)55-32-16-17-33-56(55)61(48-27-12-4-13-28-48)62(57)49-29-14-5-15-30-49/h1-43H
InChIKeyLURUVBPCRACPQX-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine (PubChem CID 169063647) 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-(2-phenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
PubChem CID169063647
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2)cc1
InChIInChI=1S/C62H43N/c1-6-21-44(22-7-1)52-31-18-19-36-59(52)63(50-39-37-46(38-40-50)54-35-20-34-53(45-23-8-2-9-24-45)60(54)47-25-10-3-11-26-47)51-41-42-57-58(43-51)55-32-16-17-33-56(55)61(48-27-12-4-13-28-48)62(57)49-29-14-5-15-30-49/h1-43H
InChIKeyLURUVBPCRACPQX-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-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
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-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 163910164
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine (CID 169063647) is N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine?
The InChIKey is LURUVBPCRACPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-21-44(22-7-1)52-31-18-19-36-59(52)63(50-39-37-46(38-40-50)54-35-20-34-53(45-23-8-2-9-24-45)60(54)47-25-10-3-11-26-47)51-41-42-57-58(43-51)55-32-16-17-33-56(55)61(48-27-12-4-13-28-48)62(57)49-29-14-5-15-30-49/h1-43H.
What are the key properties of N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine?
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-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-(2-phenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 169063647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).