9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine

C50H60N2O — CID 166957359

IUPAC9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine
SMILESCC1C=C2C(=CC1)C1CC(N(c3ccc4c(c3)c3c(n4C4=CC5CCCCC5CC4)CCCC3)C3CC=CC4=C3C3C=CC=CC3O4)CCC1C2(C)C
InChIInChI=1S/C50H60N2O/c1-31-19-24-37-40-29-35(22-25-42(40)50(2,3)43(37)27-31)51(46-16-10-18-48-49(46)39-14-7-9-17-47(39)53-48)36-23-26-45-41(30-36)38-13-6-8-15-44(38)52(45)34-21-20-32-11-4-5-12-33(32)28-34/h7,9-10,14,17-18,23-24,26-28,30-33,35,39-40,42,46-47H,4-6,8,11-13,15-16,19-22,25,29H2,1-3H3
InChIKeyHRRZOYDHVOZNHN-UHFFFAOYSA-N
MW705.04 g/mol
LogP12.21
Rot. Bonds4

About 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine

9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine (PubChem CID 166957359) has the molecular formula C50H60N2O and a molecular weight of 705.04 g/mol. Its IUPAC name is 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine
PubChem CID166957359
Molecular FormulaC50H60N2O
Molecular Weight705.04 g/mol
Exact Mass704.47
IUPAC Name9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine
SMILESCC1C=C2C(=CC1)C1CC(N(c3ccc4c(c3)c3c(n4C4=CC5CCCCC5CC4)CCCC3)C3CC=CC4=C3C3C=CC=CC3O4)CCC1C2(C)C
InChIInChI=1S/C50H60N2O/c1-31-19-24-37-40-29-35(22-25-42(40)50(2,3)43(37)27-31)51(46-16-10-18-48-49(46)39-14-7-9-17-47(39)53-48)36-23-26-45-41(30-36)38-13-6-8-15-44(38)52(45)34-21-20-32-11-4-5-12-33(32)28-34/h7,9-10,14,17-18,23-24,26-28,30-33,35,39-40,42,46-47H,4-6,8,11-13,15-16,19-22,25,29H2,1-3H3
InChIKeyHRRZOYDHVOZNHN-UHFFFAOYSA-N
XLogP12.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.04
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine?
The IUPAC name of 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine (CID 166957359) is 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine?
The canonical SMILES for 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine is CC1C=C2C(=CC1)C1CC(N(c3ccc4c(c3)c3c(n4C4=CC5CCCCC5CC4)CCCC3)C3CC=CC4=C3C3C=CC=CC3O4)CCC1C2(C)C.
What is the InChIKey of 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine?
The InChIKey is HRRZOYDHVOZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N2O/c1-31-19-24-37-40-29-35(22-25-42(40)50(2,3)43(37)27-31)51(46-16-10-18-48-49(46)39-14-7-9-17-47(39)53-48)36-23-26-45-41(30-36)38-13-6-8-15-44(38)52(45)34-21-20-32-11-4-5-12-33(32)28-34/h7,9-10,14,17-18,23-24,26-28,30-33,35,39-40,42,46-47H,4-6,8,11-13,15-16,19-22,25,29H2,1-3H3.
What are the key properties of 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine?
9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine has a molecular weight of 705.04 g/mol, XLogP of 12.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 166957359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).