N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine

C48H40N2 — CID 168810448

IUPACN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-4-15-38(16-5-1)49(39-17-6-2-7-18-39)41-29-25-36(26-30-41)35-37-27-31-42(32-28-37)50(40-19-8-3-9-20-40)46-24-14-22-44-43-21-10-11-23-45(43)48(47(44)46)33-12-13-34-48/h1-11,14-32H,12-13,33-35H2
InChIKeyJPGVJBWCUDATFO-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.06
Rot. Bonds8

About N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine

N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine (PubChem CID 168810448) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
PubChem CID168810448
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC NameN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-4-15-38(16-5-1)49(39-17-6-2-7-18-39)41-29-25-36(26-30-41)35-37-27-31-42(32-28-37)50(40-19-8-3-9-20-40)46-24-14-22-44-43-21-10-11-23-45(43)48(47(44)46)33-12-13-34-48/h1-11,14-32H,12-13,33-35H2
InChIKeyJPGVJBWCUDATFO-UHFFFAOYSA-N
XLogP13.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
CID 146582471
N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine
CID 168810569
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 71079801
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine
CID 142589214

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The IUPAC name of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine (CID 168810448) is N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine.
What is the SMILES notation for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The canonical SMILES for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine is c1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The InChIKey is JPGVJBWCUDATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-4-15-38(16-5-1)49(39-17-6-2-7-18-39)41-29-25-36(26-30-41)35-37-27-31-42(32-28-37)50(40-19-8-3-9-20-40)46-24-14-22-44-43-21-10-11-23-45(43)48(47(44)46)33-12-13-34-48/h1-11,14-32H,12-13,33-35H2.
What are the key properties of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine has a molecular weight of 644.86 g/mol, XLogP of 13.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine is sourced from PubChem (CID 168810448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).