2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine

C50H44N2 — CID 142961443

IUPAC2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
SMILESCc1ccc2c(c1)C1(C3=CC(N(C4=CC=CCC4)c4ccccc4)=CCC3c3ccc(N(C4=CCCCC4)c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C50H44N2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(51(36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)52(38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-4,6-8,10-11,14-18,20-22,24-29,31-34,44H,5,9,12-13,19,23,30H2,1H3
InChIKeyJOTMZWNOJUTVHP-UHFFFAOYSA-N
MW672.92 g/mol
LogP12.96
Rot. Bonds6

About 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine

2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine (PubChem CID 142961443) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
PubChem CID142961443
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
SMILESCc1ccc2c(c1)C1(C3=CC(N(C4=CC=CCC4)c4ccccc4)=CCC3c3ccc(N(C4=CCCCC4)c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C50H44N2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(51(36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)52(38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-4,6-8,10-11,14-18,20-22,24-29,31-34,44H,5,9,12-13,19,23,30H2,1H3
InChIKeyJOTMZWNOJUTVHP-UHFFFAOYSA-N
XLogP12.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine with MolForge

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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
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
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
2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 70809697
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
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-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
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
2-N',7-N'-di(cyclohexa-1,3-dien-1-yl)-2-N',7-N'-bis(9-ethyl-6-phenoxycarbazol-3-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 146553215
iodobenzene;2-methyl-9,9'-spirobi[fluorene]-2'-amine;2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 157064836

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine (CID 142961443) is 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine is Cc1ccc2c(c1)C1(C3=CC(N(C4=CC=CCC4)c4ccccc4)=CCC3c3ccc(N(C4=CCCCC4)c4ccccc4)cc31)c1ccccc1-2.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
The InChIKey is JOTMZWNOJUTVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-35-26-29-43-42-24-14-15-25-46(42)50(47(43)32-35)48-33-40(51(36-16-6-2-7-17-36)37-18-8-3-9-19-37)27-30-44(48)45-31-28-41(34-49(45)50)52(38-20-10-4-11-21-38)39-22-12-5-13-23-39/h2-4,6-8,10-11,14-18,20-22,24-29,31-34,44H,5,9,12-13,19,23,30H2,1H3.
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine?
2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine has a molecular weight of 672.92 g/mol, XLogP of 12.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine is sourced from PubChem (CID 142961443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).