N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline

C52H35NO — CID 155105491

IUPACN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5oc6c7ccccc7c7ccccc7c6c5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-19-14-20-41(35-40)37-27-31-43(32-28-37)53(42-21-8-3-9-22-42)44-33-29-39(30-34-44)51-49(38-17-6-2-7-18-38)50-47-25-12-10-23-45(47)46-24-11-13-26-48(46)52(50)54-51/h1-35H
InChIKeyLSCIQNDSGNDPMS-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline

N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline (PubChem CID 155105491) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
PubChem CID155105491
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5oc6c7ccccc7c7ccccc7c6c5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-19-14-20-41(35-40)37-27-31-43(32-28-37)53(42-21-8-3-9-22-42)44-33-29-39(30-34-44)51-49(38-17-6-2-7-18-38)50-47-25-12-10-23-45(47)46-24-11-13-26-48(46)52(50)54-51/h1-35H
InChIKeyLSCIQNDSGNDPMS-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
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,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
CID 155105546
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
CID 58340427
N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155105495
3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 155105684
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
CID 155105507
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
CID 170254540

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The IUPAC name of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline (CID 155105491) is N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5oc6c7ccccc7c7ccccc7c6c5-c5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
The InChIKey is LSCIQNDSGNDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-19-14-20-41(35-40)37-27-31-43(32-28-37)53(42-21-8-3-9-22-42)44-33-29-39(30-34-44)51-49(38-17-6-2-7-18-38)50-47-25-12-10-23-45(47)46-24-11-13-26-48(46)52(50)54-51/h1-35H.
What are the key properties of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline?
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 155105491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).