N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline

C52H35NO — CID 155105445

IUPACN,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4c(-c5ccccc5)oc5c6ccccc6c6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-5-17-36(18-6-1)40-33-41(37-19-7-2-8-20-37)35-44(34-40)53(42-23-11-4-12-24-42)43-31-29-38(30-32-43)49-50-47-27-15-13-25-45(47)46-26-14-16-28-48(46)52(50)54-51(49)39-21-9-3-10-22-39/h1-35H
InChIKeyROTZPEOOCDCWEK-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline

N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline (PubChem CID 155105445) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
PubChem CID155105445
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4c(-c5ccccc5)oc5c6ccccc6c6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-5-17-36(18-6-1)40-33-41(37-19-7-2-8-20-37)35-44(34-40)53(42-23-11-4-12-24-42)43-31-29-38(30-32-43)49-50-47-27-15-13-25-45(47)46-26-14-16-28-48(46)52(50)54-51(49)39-21-9-3-10-22-39/h1-35H
InChIKeyROTZPEOOCDCWEK-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-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
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[10,9-b]furan-9-amine
CID 155105546
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
CID 155105507
9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine
CID 155105845
3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 155105684
2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
CID 58340427
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,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline?
The IUPAC name of N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline (CID 155105445) is N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline.
What is the SMILES notation for N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline?
The canonical SMILES for N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4c(-c5ccccc5)oc5c6ccccc6c6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline?
The InChIKey is ROTZPEOOCDCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-5-17-36(18-6-1)40-33-41(37-19-7-2-8-20-37)35-44(34-40)53(42-23-11-4-12-24-42)43-31-29-38(30-32-43)49-50-47-27-15-13-25-45(47)46-26-14-16-28-48(46)52(50)54-51(49)39-21-9-3-10-22-39/h1-35H.
What are the key properties of N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline?
N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]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,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline is sourced from PubChem (CID 155105445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).