7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane

C41H40N2 — CID 143993808

IUPAC7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
SMILESCC.CC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H34N2.C2H6/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32;1-2/h3-13,15-21,23-28H,14,22H2,1-2H3;1-2H3
InChIKeyLHHPXBXUGCVIOA-UHFFFAOYSA-N
MW560.79 g/mol
LogP11.86
Rot. Bonds6

About 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane

7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane (PubChem CID 143993808) has the molecular formula C41H40N2 and a molecular weight of 560.79 g/mol. Its IUPAC name is 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane.

Molecular Properties

Compound Name7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
PubChem CID143993808
Molecular FormulaC41H40N2
Molecular Weight560.79 g/mol
Exact Mass560.32
IUPAC Name7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
SMILESCC.CC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H34N2.C2H6/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32;1-2/h3-13,15-21,23-28H,14,22H2,1-2H3;1-2H3
InChIKeyLHHPXBXUGCVIOA-UHFFFAOYSA-N
XLogP11.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89356008
2-N-cyclohexa-1,3-dien-1-yl-2-N,5-N,5-N,9,9-pentakis-phenylfluorene-2,5-diamine
CID 142424805
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 142867934
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane?
The IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane (CID 143993808) is 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane.
What is the SMILES notation for 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane?
The canonical SMILES for 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane is CC.CC1(C)c2cc(N(C3=CC=CCC3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane?
The InChIKey is LHHPXBXUGCVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2.C2H6/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32;1-2/h3-13,15-21,23-28H,14,22H2,1-2H3;1-2H3.
What are the key properties of 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane?
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane has a molecular weight of 560.79 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane is sourced from PubChem (CID 143993808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).