N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine

C31H20ClN — CID 118343935

IUPACN-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESClc1ccccc1Nc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H20ClN/c32-29-15-7-8-16-30(29)33-20-17-18-28-24(19-20)23-11-3-6-14-27(23)31(28)25-12-4-1-9-21(25)22-10-2-5-13-26(22)31/h1-19,33H
InChIKeyXQBBKKDERBFNNV-UHFFFAOYSA-N
MW441.96 g/mol
LogP8.43
Rot. Bonds2

About N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine

N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 118343935) has the molecular formula C31H20ClN and a molecular weight of 441.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID118343935
Molecular FormulaC31H20ClN
Molecular Weight441.96 g/mol
Exact Mass441.13
IUPAC NameN-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESClc1ccccc1Nc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H20ClN/c32-29-15-7-8-16-30(29)33-20-17-18-28-24(19-20)23-11-3-6-14-27(23)31(28)25-12-4-1-9-21(25)22-10-2-5-13-26(22)31/h1-19,33H
InChIKeyXQBBKKDERBFNNV-UHFFFAOYSA-N
XLogP8.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine 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-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
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
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine (CID 118343935) is N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine is Clc1ccccc1Nc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is XQBBKKDERBFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN/c32-29-15-7-8-16-30(29)33-20-17-18-28-24(19-20)23-11-3-6-14-27(23)31(28)25-12-4-1-9-21(25)22-10-2-5-13-26(22)31/h1-19,33H.
What are the key properties of N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 441.96 g/mol, XLogP of 8.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 118343935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).