N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C54H35NO — CID 167184000

IUPACN-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-10-37(11-3-1)46-13-6-7-14-47(46)39-24-29-44(30-25-39)55(45-31-33-51-50-16-8-9-17-52(50)56-53(51)35-45)43-27-22-36(23-28-43)41-26-32-49-42(34-41)21-20-40-19-18-38-12-4-5-15-48(38)54(40)49/h1-35H
InChIKeyZZWLXXVJHQVXHU-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167184000) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167184000
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-10-37(11-3-1)46-13-6-7-14-47(46)39-24-29-44(30-25-39)55(45-31-33-51-50-16-8-9-17-52(50)56-53(51)35-45)43-27-22-36(23-28-43)41-26-32-49-42(34-41)21-20-40-19-18-38-12-4-5-15-48(38)54(40)49/h1-35H
InChIKeyZZWLXXVJHQVXHU-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
7-phenyl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352672

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 167184000) is N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is ZZWLXXVJHQVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-10-37(11-3-1)46-13-6-7-14-47(46)39-24-29-44(30-25-39)55(45-31-33-51-50-16-8-9-17-52(50)56-53(51)35-45)43-27-22-36(23-28-43)41-26-32-49-42(34-41)21-20-40-19-18-38-12-4-5-15-48(38)54(40)49/h1-35H.
What are the key properties of N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167184000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).