N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine

C53H55N — CID 170003790

IUPACN-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine
SMILESCC1=CC=C(C2=CCC(N(C3=CCC4C(=C3)C3(C5=C(CCC=C5)c5ccccc53)C3CCC=CC43)C3=CC=C4C5=C(C=CCC5)C(C)(C)C4C3)C=C2)CC1
InChIInChI=1S/C53H55N/c1-34-20-22-35(23-21-34)36-24-26-37(27-25-36)54(38-28-30-44-40-12-4-8-16-46(40)52(2,3)50(44)32-38)39-29-31-45-43-15-7-11-19-49(43)53(51(45)33-39)47-17-9-5-13-41(47)42-14-6-10-18-48(42)53/h5,7-10,13,15-18,20,22,24-26,28-30,33,37,43,45,49-50H,4,6,11-12,14,19,21,23,27,31-32H2,1-3H3
InChIKeyAAYYNOWFLHTTBL-UHFFFAOYSA-N
MW706.03 g/mol
LogP13.21
Rot. Bonds4

About N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine

N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine (PubChem CID 170003790) has the molecular formula C53H55N and a molecular weight of 706.03 g/mol. Its IUPAC name is N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine
PubChem CID170003790
Molecular FormulaC53H55N
Molecular Weight706.03 g/mol
Exact Mass705.43
IUPAC NameN-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine
SMILESCC1=CC=C(C2=CCC(N(C3=CCC4C(=C3)C3(C5=C(CCC=C5)c5ccccc53)C3CCC=CC43)C3=CC=C4C5=C(C=CCC5)C(C)(C)C4C3)C=C2)CC1
InChIInChI=1S/C53H55N/c1-34-20-22-35(23-21-34)36-24-26-37(27-25-36)54(38-28-30-44-40-12-4-8-16-46(40)52(2,3)50(44)32-38)39-29-31-45-43-15-7-11-19-49(43)53(51(45)33-39)47-17-9-5-13-41(47)42-14-6-10-18-48(42)53/h5,7-10,13,15-18,20,22,24-26,28-30,33,37,43,45,49-50H,4,6,11-12,14,19,21,23,27,31-32H2,1-3H3
InChIKeyAAYYNOWFLHTTBL-UHFFFAOYSA-N
XLogP13.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.03
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
CID 134591959
N-(3-cyclohexa-2,4-dien-1-yl-9,9-dimethyl-1,2,4a,4b,5,6,7,9a-octahydrofluoren-2-yl)-9-(cyclohexen-1-yl)-9-cyclohex-2-en-1-yl-N-[9-(cyclohexen-1-yl)-9-cyclohex-3-en-1-yl-2,3,7,8-tetrahydrofluoren-2-yl]-1,5,6,9a-tetrahydrofluoren-2-amine
CID 154931886
N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 166648068
9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine
CID 174290455
CID 145141140
CID 145141140
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461
N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[4-(9-phenyl-1,2,3,4b,5,6,8a,9a-octahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-1,4b,5,6,7,8,8a,9a-octahydrofluoren-2-amine
CID 129054587
2-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene
CID 89161599
N-(4-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145280398
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
N-(10,10-dimethyl-7,10a-dihydro-1H-benzo[a]azulen-2-yl)-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-3-methyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
CID 166750784

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine (CID 170003790) is N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine is CC1=CC=C(C2=CCC(N(C3=CCC4C(=C3)C3(C5=C(CCC=C5)c5ccccc53)C3CCC=CC43)C3=CC=C4C5=C(C=CCC5)C(C)(C)C4C3)C=C2)CC1.
What is the InChIKey of N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine?
The InChIKey is AAYYNOWFLHTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H55N/c1-34-20-22-35(23-21-34)36-24-26-37(27-25-36)54(38-28-30-44-40-12-4-8-16-46(40)52(2,3)50(44)32-38)39-29-31-45-43-15-7-11-19-49(43)53(51(45)33-39)47-17-9-5-13-41(47)42-14-6-10-18-48(42)53/h5,7-10,13,15-18,20,22,24-26,28-30,33,37,43,45,49-50H,4,6,11-12,14,19,21,23,27,31-32H2,1-3H3.
What are the key properties of N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine?
N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine has a molecular weight of 706.03 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-1,5,6,9a-tetrahydrofluoren-2-yl)-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]spiro[3,4-dihydrofluorene-9,9'-4,4a,4b,7,8,8a-hexahydrofluorene]-2'-amine is sourced from PubChem (CID 170003790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).