N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine

C60H104N2O2 — CID 140532936

IUPACN-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine
SMILESCOCCC1CCC(N(C2CCC(C3CCC(N(C4CCC(CCOC)CC4)C4CCC5C6CCCCC6C(C)(C)C5C4)CC3)CC2)C2CCC3C4CCCCC4C(C)(C)C3C2)CC1
InChIInChI=1S/C60H104N2O2/c1-59(2)55-13-9-7-11-51(55)53-33-31-49(39-57(53)59)61(45-23-15-41(16-24-45)35-37-63-5)47-27-19-43(20-28-47)44-21-29-48(30-22-44)62(46-25-17-42(18-26-46)36-38-64-6)50-32-34-54-52-12-8-10-14-56(52)60(3,4)58(54)40-50/h41-58H,7-40H2,1-6H3
InChIKeyMGRVZRQLXRMJQS-UHFFFAOYSA-N
MW885.50 g/mol
LogP15.16
Rot. Bonds13

About N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine

N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine (PubChem CID 140532936) has the molecular formula C60H104N2O2 and a molecular weight of 885.50 g/mol. Its IUPAC name is N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine
PubChem CID140532936
Molecular FormulaC60H104N2O2
Molecular Weight885.50 g/mol
Exact Mass884.81
IUPAC NameN-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine
SMILESCOCCC1CCC(N(C2CCC(C3CCC(N(C4CCC(CCOC)CC4)C4CCC5C6CCCCC6C(C)(C)C5C4)CC3)CC2)C2CCC3C4CCCCC4C(C)(C)C3C2)CC1
InChIInChI=1S/C60H104N2O2/c1-59(2)55-13-9-7-11-51(55)53-33-31-49(39-57(53)59)61(45-23-15-41(16-24-45)35-37-63-5)47-27-19-43(20-28-47)44-21-29-48(30-22-44)62(46-25-17-42(18-26-46)36-38-64-6)50-32-34-54-52-12-8-10-14-56(52)60(3,4)58(54)40-50/h41-58H,7-40H2,1-6H3
InChIKeyMGRVZRQLXRMJQS-UHFFFAOYSA-N
XLogP15.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.50
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine with MolForge

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Related Compounds

CID 173480325
CID 173480325
2-[3,5-bis(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)cyclohexyl]-9-ethyl-9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 144582460
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
CID 134369076
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
CID 140532940
4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
N-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-9,9'-spirobi[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene]-2'-amine
CID 165000916
9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride
CID 140510781
(3S,13R)-3-ethyl-17-(3-methoxypropyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 171643133
3-ethyl-17-(3-methoxypropyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 171642775
8-(1-methoxy-2-methylpropan-2-yl)-8-methyltricyclo[5.2.1.02,6]decane
CID 174350007
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine?
The IUPAC name of N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine (CID 140532936) is N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine.
What is the SMILES notation for N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine?
The canonical SMILES for N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine is COCCC1CCC(N(C2CCC(C3CCC(N(C4CCC(CCOC)CC4)C4CCC5C6CCCCC6C(C)(C)C5C4)CC3)CC2)C2CCC3C4CCCCC4C(C)(C)C3C2)CC1.
What is the InChIKey of N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine?
The InChIKey is MGRVZRQLXRMJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H104N2O2/c1-59(2)55-13-9-7-11-51(55)53-33-31-49(39-57(53)59)61(45-23-15-41(16-24-45)35-37-63-5)47-27-19-43(20-28-47)44-21-29-48(30-22-44)62(46-25-17-42(18-26-46)36-38-64-6)50-32-34-54-52-12-8-10-14-56(52)60(3,4)58(54)40-50/h41-58H,7-40H2,1-6H3.
What are the key properties of N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine?
N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine has a molecular weight of 885.50 g/mol, XLogP of 15.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine is sourced from PubChem (CID 140532936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).