N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline

C37H25N — CID 166714648

IUPACN-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(Nc2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C37H25N/c1-2-12-27(13-3-1)38-28-14-10-11-25(23-28)26-21-22-36-32(24-26)31-17-6-9-20-35(31)37(36)33-18-7-4-15-29(33)30-16-5-8-19-34(30)37/h1-24,38H
InChIKeyFQRCJWLIAAHWEG-UHFFFAOYSA-N
MW483.61 g/mol
LogP9.44
Rot. Bonds3

About N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline

N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline (PubChem CID 166714648) has the molecular formula C37H25N and a molecular weight of 483.61 g/mol. Its IUPAC name is N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
PubChem CID166714648
Molecular FormulaC37H25N
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC NameN-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(Nc2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C37H25N/c1-2-12-27(13-3-1)38-28-14-10-11-25(23-28)26-21-22-36-32(24-26)31-17-6-9-20-35(31)37(36)33-18-7-4-15-29(33)30-16-5-8-19-34(30)37/h1-24,38H
InChIKeyFQRCJWLIAAHWEG-UHFFFAOYSA-N
XLogP9.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-phenyl-3-(9,9'-spirobi[fluorene]-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

N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
N-phenyl-3-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 138568457
3,9,9-triphenylfluorene
CID 140844354
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
CID 175980983

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The IUPAC name of N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline (CID 166714648) is N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline.
What is the SMILES notation for N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The canonical SMILES for N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline is c1ccc(Nc2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The InChIKey is FQRCJWLIAAHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N/c1-2-12-27(13-3-1)38-28-14-10-11-25(23-28)26-21-22-36-32(24-26)31-17-6-9-20-35(31)37(36)33-18-7-4-15-29(33)30-16-5-8-19-34(30)37/h1-24,38H.
What are the key properties of N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline has a molecular weight of 483.61 g/mol, XLogP of 9.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline is sourced from PubChem (CID 166714648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).