N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine

C72H122N6 — CID 140888532

About N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine

N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine (PubChem CID 140888532) has the molecular formula C72H122N6 and a molecular weight of 1071.81 g/mol. Its IUPAC name is N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine.

Molecular Properties

• Compound Name: N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
• PubChem CID: 140888532
• Molecular Formula: C72H122N6
• Molecular Weight: 1071.81 g/mol
• Exact Mass: 1070.97
• IUPAC Name: N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
• SMILES: C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CCCCC2N3C2CCC(C3CCNC4C3CCC3C(C5CCC(N6C7CCCCC7C7CC(N(C8CCCCC8)C8CCCCC8)CCC76)CC5)CCNC34)CC2)CC1
• InChI: InChI=1S/C72H122N6/c1-5-17-51(18-6-1)75(52-19-7-2-8-20-52)57-37-41-69-65(47-57)61-25-13-15-27-67(61)77(69)55-33-29-49(30-34-55)59-43-45-73-71-63(59)39-40-64-60(44-46-74-72(64)71)50-31-35-56(36-32-50)78-68-28-16-14-26-62(68)66-48-58(38-42-70(66)78)76(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h49-74H,1-48H2
• InChIKey: GYOHCLHSELJYLR-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 37.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.81
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine?

The IUPAC name of N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine (CID 140888532) is N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine.

What is the SMILES notation for N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine?

The canonical SMILES for N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine is C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CCCCC2N3C2CCC(C3CCNC4C3CCC3C(C5CCC(N6C7CCCCC7C7CC(N(C8CCCCC8)C8CCCCC8)CCC76)CC5)CCNC34)CC2)CC1.

What is the InChIKey of N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine?

The InChIKey is GYOHCLHSELJYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H122N6/c1-5-17-51(18-6-1)75(52-19-7-2-8-20-52)57-37-41-69-65(47-57)61-25-13-15-27-67(61)77(69)55-33-29-49(30-34-55)59-43-45-73-71-63(59)39-40-64-60(44-46-74-72(64)71)50-31-35-56(36-32-50)78-68-28-16-14-26-62(68)66-48-58(38-42-70(66)78)76(53-21-9-3-10-22-53)54-23-11-4-12-24-54/h49-74H,1-48H2.

What are the key properties of N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine?

N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine has a molecular weight of 1071.81 g/mol, XLogP of 15.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclohexyl-9-[4-[7-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine is sourced from PubChem (CID 140888532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).