3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

C48H79N3 — CID 140807135

IUPAC3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESC1CCC2C(C1)C1CCCCC1N2C1CCC(C2CCC3NC4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C3C2)CC1
InChIInChI=1S/C48H79N3/c1-5-13-45-37(9-1)38-10-2-6-14-46(38)50(45)35-23-17-31(18-24-35)33-21-27-43-41(29-33)42-30-34(22-28-44(42)49-43)32-19-25-36(26-20-32)51-47-15-7-3-11-39(47)40-12-4-8-16-48(40)51/h31-49H,1-30H2
InChIKeyUVPVULVKQUWPGL-UHFFFAOYSA-N
MW698.18 g/mol
LogP11.14
Rot. Bonds4

About 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (PubChem CID 140807135) has the molecular formula C48H79N3 and a molecular weight of 698.18 g/mol. Its IUPAC name is 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.

Molecular Properties

Compound Name3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
PubChem CID140807135
Molecular FormulaC48H79N3
Molecular Weight698.18 g/mol
Exact Mass697.63
IUPAC Name3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESC1CCC2C(C1)C1CCCCC1N2C1CCC(C2CCC3NC4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C3C2)CC1
InChIInChI=1S/C48H79N3/c1-5-13-45-37(9-1)38-10-2-6-14-46(38)50(45)35-23-17-31(18-24-35)33-21-27-43-41(29-33)42-30-34(22-28-44(42)49-43)32-19-25-36(26-20-32)51-47-15-7-3-11-39(47)40-12-4-8-16-48(40)51/h31-49H,1-30H2
InChIKeyUVPVULVKQUWPGL-UHFFFAOYSA-N
XLogP11.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.18
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The IUPAC name of 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (CID 140807135) is 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.
What is the SMILES notation for 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The canonical SMILES for 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is C1CCC2C(C1)C1CCCCC1N2C1CCC(C2CCC3NC4CCC(C5CCC(N6C7CCCCC7C7CCCCC76)CC5)CC4C3C2)CC1.
What is the InChIKey of 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The InChIKey is UVPVULVKQUWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H79N3/c1-5-13-45-37(9-1)38-10-2-6-14-46(38)50(45)35-23-17-31(18-24-35)33-21-27-43-41(29-33)42-30-34(22-28-44(42)49-43)32-19-25-36(26-20-32)51-47-15-7-3-11-39(47)40-12-4-8-16-48(40)51/h31-49H,1-30H2.
What are the key properties of 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole has a molecular weight of 698.18 g/mol, XLogP of 11.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is sourced from PubChem (CID 140807135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).