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

C71H85N — CID 154931886

IUPACN-(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
SMILESCC1(C)C2=CCCCC2C2C=C(C3C=CC=CC3)C(N(C3=CC=C4C5=C(C=CCC5)C(C5=CCCCC5)(C5C=CCCC5)C4C3)C3C=C4C(=CC3)C3=C(CCC=C3)C4(C3=CCCCC3)C3CC=CCC3)CC21
InChIInChI=1S/C71H85N/c1-69(2)62-37-21-18-36-57(62)61-46-60(48-24-8-3-9-25-48)68(47-65(61)69)72(53-40-42-58-55-34-19-22-38-63(55)70(66(58)44-53,49-26-10-4-11-27-49)50-28-12-5-13-29-50)54-41-43-59-56-35-20-23-39-64(56)71(67(59)45-54,51-30-14-6-15-31-51)52-32-16-7-17-33-52/h3-4,8-10,14,19,23-24,28,30,32,34,37,39,41-44,46,48-49,51,53,57,61,65,67-68H,5-7,11-13,15-18,20-22,25-27,29,31,33,35-36,38,40,45,47H2,1-2H3
InChIKeyBUCBPDSLZBMOAB-UHFFFAOYSA-N
MW952.47 g/mol
LogP18.58
Rot. Bonds8

About 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

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 (PubChem CID 154931886) has the molecular formula C71H85N and a molecular weight of 952.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID154931886
Molecular FormulaC71H85N
Molecular Weight952.47 g/mol
Exact Mass951.67
IUPAC NameN-(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
SMILESCC1(C)C2=CCCCC2C2C=C(C3C=CC=CC3)C(N(C3=CC=C4C5=C(C=CCC5)C(C5=CCCCC5)(C5C=CCCC5)C4C3)C3C=C4C(=CC3)C3=C(CCC=C3)C4(C3=CCCCC3)C3CC=CCC3)CC21
InChIInChI=1S/C71H85N/c1-69(2)62-37-21-18-36-57(62)61-46-60(48-24-8-3-9-25-48)68(47-65(61)69)72(53-40-42-58-55-34-19-22-38-63(55)70(66(58)44-53,49-26-10-4-11-27-49)50-28-12-5-13-29-50)54-41-43-59-56-35-20-23-39-64(56)71(67(59)45-54,51-30-14-6-15-31-51)52-32-16-7-17-33-52/h3-4,8-10,14,19,23-24,28,30,32,34,37,39,41-44,46,48-49,51,53,57,61,65,67-68H,5-7,11-13,15-18,20-22,25-27,29,31,33,35-36,38,40,45,47H2,1-2H3
InChIKeyBUCBPDSLZBMOAB-UHFFFAOYSA-N
XLogP18.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.47
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=CCCCC2C2C=C(C3C=CC=CC3)C(N(C3=CC=C4C5=C(C=CCC5)C(C5=CCCCC5)(C5C=CCCC5)C4C3)C3C=C4C(=CC3)C3=C(CCC=C3)C4(C3=CCCCC3)C3CC=CCC3)CC21.
What is the InChIKey of 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?
The InChIKey is BUCBPDSLZBMOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H85N/c1-69(2)62-37-21-18-36-57(62)61-46-60(48-24-8-3-9-25-48)68(47-65(61)69)72(53-40-42-58-55-34-19-22-38-63(55)70(66(58)44-53,49-26-10-4-11-27-49)50-28-12-5-13-29-50)54-41-43-59-56-35-20-23-39-64(56)71(67(59)45-54,51-30-14-6-15-31-51)52-32-16-7-17-33-52/h3-4,8-10,14,19,23-24,28,30,32,34,37,39,41-44,46,48-49,51,53,57,61,65,67-68H,5-7,11-13,15-18,20-22,25-27,29,31,33,35-36,38,40,45,47H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 952.47 g/mol, XLogP of 18.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154931886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).