ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline

C35H41N — CID 142500208

IUPACethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
SMILESCC.CC1(C)c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C33H35N.C2H6/c1-31(2)29-21-20-25(23-30(29)32(3,4)33(31,5)6)24-14-13-19-28(22-24)34(26-15-9-7-10-16-26)27-17-11-8-12-18-27;1-2/h7-23H,1-6H3;1-2H3
InChIKeyMHYORNLMTUUZNI-UHFFFAOYSA-N
MW475.72 g/mol
LogP10.44
Rot. Bonds4

About ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline

ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline (PubChem CID 142500208) has the molecular formula C35H41N and a molecular weight of 475.72 g/mol. Its IUPAC name is ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Nameethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
PubChem CID142500208
Molecular FormulaC35H41N
Molecular Weight475.72 g/mol
Exact Mass475.32
IUPAC Nameethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
SMILESCC.CC1(C)c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C33H35N.C2H6/c1-31(2)29-21-20-25(23-30(29)32(3,4)33(31,5)6)24-14-13-19-28(22-24)34(26-15-9-7-10-16-26)27-17-11-8-12-18-27;1-2/h7-23H,1-6H3;1-2H3
InChIKeyMHYORNLMTUUZNI-UHFFFAOYSA-N
XLogP10.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500857
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
CID 142500772
1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 142500793
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 142500491
1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
CID 142500795
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline?
The IUPAC name of ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline (CID 142500208) is ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline?
The canonical SMILES for ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline is CC.CC1(C)c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)cc2C(C)(C)C1(C)C.
What is the InChIKey of ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline?
The InChIKey is MHYORNLMTUUZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N.C2H6/c1-31(2)29-21-20-25(23-30(29)32(3,4)33(31,5)6)24-14-13-19-28(22-24)34(26-15-9-7-10-16-26)27-17-11-8-12-18-27;1-2/h7-23H,1-6H3;1-2H3.
What are the key properties of ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline?
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline has a molecular weight of 475.72 g/mol, XLogP of 10.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 142500208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).