N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C56H37NO — CID 130208153

IUPACN-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-37H
InChIKeyACMQXAHVDUMSIA-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 130208153) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID130208153
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-37H
InChIKeyACMQXAHVDUMSIA-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
4-naphthalen-2-yl-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine;N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164955316
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 130208153) is N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ACMQXAHVDUMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-37H.
What are the key properties of N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 130208153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).