N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine

C62H41NO — CID 169065438

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NO/c1-5-18-42(19-6-1)50-38-36-48(40-56(50)43-20-7-2-8-21-43)63(47-34-32-44(33-35-47)51-29-17-31-59-62(51)55-28-15-16-30-58(55)64-59)49-37-39-53-52-26-13-14-27-54(52)60(45-22-9-3-10-23-45)61(57(53)41-49)46-24-11-4-12-25-46/h1-41H
InChIKeyOTWUJEWMXYMQGZ-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169065438) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169065438
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NO/c1-5-18-42(19-6-1)50-38-36-48(40-56(50)43-20-7-2-8-21-43)63(47-34-32-44(33-35-47)51-29-17-31-59-62(51)55-28-15-16-30-58(55)64-59)49-37-39-53-52-26-13-14-27-54(52)60(45-22-9-3-10-23-45)61(57(53)41-49)46-24-11-4-12-25-46/h1-41H
InChIKeyOTWUJEWMXYMQGZ-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 169062763
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535007
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169065438) is N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is OTWUJEWMXYMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-5-18-42(19-6-1)50-38-36-48(40-56(50)43-20-7-2-8-21-43)63(47-34-32-44(33-35-47)51-29-17-31-59-62(51)55-28-15-16-30-58(55)64-59)49-37-39-53-52-26-13-14-27-54(52)60(45-22-9-3-10-23-45)61(57(53)41-49)46-24-11-4-12-25-46/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169065438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).