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

C59H39NO — CID 155105507

IUPACN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
SMILESc1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H39NO/c1-4-18-41(19-5-1)57-55(56-51-28-12-10-24-47(51)48-25-11-13-29-52(48)58(56)61-57)40-32-36-45(37-33-40)60(44-22-8-3-9-23-44)46-38-34-43(35-39-46)59(42-20-6-2-7-21-42)53-30-16-14-26-49(53)50-27-15-17-31-54(50)59/h1-39H
InChIKeyDZXVYCDVHPTOOB-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

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

N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline (PubChem CID 155105507) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
PubChem CID155105507
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
SMILESc1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H39NO/c1-4-18-41(19-5-1)57-55(56-51-28-12-10-24-47(51)48-25-11-13-29-52(48)58(56)61-57)40-32-36-45(37-33-40)60(44-22-8-3-9-23-44)46-38-34-43(35-39-46)59(42-20-6-2-7-21-42)53-30-16-14-26-49(53)50-27-15-17-31-54(50)59/h1-39H
InChIKeyDZXVYCDVHPTOOB-UHFFFAOYSA-N
XLogP15.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
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-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 155105732
9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine
CID 155105845
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275
N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline?
The IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline (CID 155105507) is N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline.
What is the SMILES notation for N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline?
The canonical SMILES for N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline is c1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline?
The InChIKey is DZXVYCDVHPTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-4-18-41(19-5-1)57-55(56-51-28-12-10-24-47(51)48-25-11-13-29-52(48)58(56)61-57)40-32-36-45(37-33-40)60(44-22-8-3-9-23-44)46-38-34-43(35-39-46)59(42-20-6-2-7-21-42)53-30-16-14-26-49(53)50-27-15-17-31-54(50)59/h1-39H.
What are the key properties of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline?
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline has a molecular weight of 777.97 g/mol, XLogP of 15.91, 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-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline is sourced from PubChem (CID 155105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).