9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine

C41H42N2 — CID 163470569

IUPAC9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
SMILESCC1=CC(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=C3C=CC(N(C3=CC(C)CC=C3)c3ccccc3)C2)=CCC1
InChIInChI=1S/C41H42N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-11,15-26,28-29,35H,12-14,27H2,1-4H3
InChIKeyBWFMJHCXFALANK-UHFFFAOYSA-N
MW562.80 g/mol
LogP10.81
Rot. Bonds6

About 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine

9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine (PubChem CID 163470569) has the molecular formula C41H42N2 and a molecular weight of 562.80 g/mol. Its IUPAC name is 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
PubChem CID163470569
Molecular FormulaC41H42N2
Molecular Weight562.80 g/mol
Exact Mass562.33
IUPAC Name9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
SMILESCC1=CC(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=C3C=CC(N(C3=CC(C)CC=C3)c3ccccc3)C2)=CCC1
InChIInChI=1S/C41H42N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-11,15-26,28-29,35H,12-14,27H2,1-4H3
InChIKeyBWFMJHCXFALANK-UHFFFAOYSA-N
XLogP10.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.80
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N'-(5-methylcyclohexa-1,5-dien-1-yl)-7-N'-(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[1,2-dihydrofluorene]-2',7'-diamine
CID 130371077
9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
CID 89189750
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419
4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 66837995
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 167195615
N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
CID 143665043
N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 163446399
N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine
CID 89065132
7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 58918406
7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
CID 89067073

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine (CID 163470569) is 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine is CC1=CC(N(c2ccccc2)c2ccc3c(c2)C(C)(C)C2=C3C=CC(N(C3=CC(C)CC=C3)c3ccccc3)C2)=CCC1.
What is the InChIKey of 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine?
The InChIKey is BWFMJHCXFALANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-11,15-26,28-29,35H,12-14,27H2,1-4H3.
What are the key properties of 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine?
9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine has a molecular weight of 562.80 g/mol, XLogP of 10.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine is sourced from PubChem (CID 163470569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).