3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine

C36H33NO — CID 142500524

IUPAC3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)OC2(CCCC2)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc21
InChIInChI=1S/C36H33NO/c1-35(2)33-24-26(19-20-32(33)36(38-35)21-11-12-22-36)28-23-27-13-9-10-18-31(27)34(25-28)37(29-14-5-3-6-15-29)30-16-7-4-8-17-30/h3-10,13-20,23-25H,11-12,21-22H2,1-2H3
InChIKeyKOGPPXFNWDMZJL-UHFFFAOYSA-N
MW495.67 g/mol
LogP10.01
Rot. Bonds4

About 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine

3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine (PubChem CID 142500524) has the molecular formula C36H33NO and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine
PubChem CID142500524
Molecular FormulaC36H33NO
Molecular Weight495.67 g/mol
Exact Mass495.26
IUPAC Name3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)OC2(CCCC2)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc21
InChIInChI=1S/C36H33NO/c1-35(2)33-24-26(19-20-32(33)36(38-35)21-11-12-22-36)28-23-27-13-9-10-18-31(27)34(25-28)37(29-14-5-3-6-15-29)30-16-7-4-8-17-30/h3-10,13-20,23-25H,11-12,21-22H2,1-2H3
InChIKeyKOGPPXFNWDMZJL-UHFFFAOYSA-N
XLogP10.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine
CID 142500831
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 164774857
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 134601920
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 138622973
2,5-bis(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylaniline
CID 142500621
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
9,9-dimethyl-N-phenyl-N-[4-[10-[4-(N-phenylanilino)naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]phenyl]fluoren-2-amine
CID 168855769

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine (CID 142500524) is 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine is CC1(C)OC2(CCCC2)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc21.
What is the InChIKey of 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine?
The InChIKey is KOGPPXFNWDMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33NO/c1-35(2)33-24-26(19-20-32(33)36(38-35)21-11-12-22-36)28-23-27-13-9-10-18-31(27)34(25-28)37(29-14-5-3-6-15-29)30-16-7-4-8-17-30/h3-10,13-20,23-25H,11-12,21-22H2,1-2H3.
What are the key properties of 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine?
3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine has a molecular weight of 495.67 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 142500524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).