7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde

C28H27NO — CID 89067073

IUPAC7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
SMILESCC1(C)C2=C(CCC(C=O)=C2)c2ccc(N(C3=CCCC=C3)c3ccccc3)cc21
InChIInChI=1S/C28H27NO/c1-28(2)26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-7,9-12,14,16-19H,4,8,13,15H2,1-2H3
InChIKeyPYVWIGDMGUEOGE-UHFFFAOYSA-N
MW393.53 g/mol
LogP7.02
Rot. Bonds4

About 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde

7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde (PubChem CID 89067073) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde.

Molecular Properties

Compound Name7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
PubChem CID89067073
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
SMILESCC1(C)C2=C(CCC(C=O)=C2)c2ccc(N(C3=CCCC=C3)c3ccccc3)cc21
InChIInChI=1S/C28H27NO/c1-28(2)26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-7,9-12,14,16-19H,4,8,13,15H2,1-2H3
InChIKeyPYVWIGDMGUEOGE-UHFFFAOYSA-N
XLogP7.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89189714
N-cyclohexa-1,5-dien-1-yl-7-[(E)-2-[6-(6,7-diphenylnaphthalen-2-yl)naphthalen-2-yl]ethenyl]-N-phenylspiro[5,6-dihydrofluorene-9,1'-cyclohexane]-2-amine
CID 89066714
N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
CID 144734094
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,5-dien-1-yl-4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N-phenylaniline
CID 170265538
4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 87174608
6-[(E)-2-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethylfluoren-2-yl)amino]phenyl]ethenyl]thieno[2,3-f][1]benzothiole-2-carbaldehyde
CID 88948493
N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 89356014
N-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-9-[(3E)-4-phenothiazin-10-ylhexa-1,3-dien-2-yl]-1,2-dihydrocarbazol-4-amine
CID 163867785
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 170445127

Frequently Asked Questions

What is the IUPAC name of 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde?
The IUPAC name of 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde (CID 89067073) is 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde.
What is the SMILES notation for 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde?
The canonical SMILES for 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde is CC1(C)C2=C(CCC(C=O)=C2)c2ccc(N(C3=CCCC=C3)c3ccccc3)cc21.
What is the InChIKey of 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde?
The InChIKey is PYVWIGDMGUEOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO/c1-28(2)26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-7,9-12,14,16-19H,4,8,13,15H2,1-2H3.
What are the key properties of 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde?
7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde has a molecular weight of 393.53 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde is sourced from PubChem (CID 89067073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).