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

C76H130N8 — CID 140888589

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

5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (PubChem CID 140888589) has the molecular formula C76H130N8 and a molecular weight of 1155.93 g/mol. Its IUPAC name is 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.

Molecular Properties

• Compound Name: 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• PubChem CID: 140888589
• Molecular Formula: C76H130N8
• Molecular Weight: 1155.93 g/mol
• Exact Mass: 1155.04
• IUPAC Name: 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• SMILES: C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CC(C4CCC(N5C6CCNCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)CC(C4CCNC5C4CCC4CCCNC45)C3)CC2)CC1
• InChI: InChI=1S/C76H130N8/c1-5-15-57(16-6-1)81(58-17-7-2-8-18-58)63-32-35-71-67(47-63)69-49-77-41-38-73(69)83(71)61-28-23-51(24-29-61)54-44-55(46-56(45-54)65-37-43-80-76-66(65)34-27-53-14-13-40-79-75(53)76)52-25-30-62(31-26-52)84-72-36-33-64(48-68(72)70-50-78-42-39-74(70)84)82(59-19-9-3-10-20-59)60-21-11-4-12-22-60/h51-80H,1-50H2
• InChIKey: DHLBTEIXAWURPN-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 61.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.93
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (CID 140888589) is 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.

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

The canonical SMILES for 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CC(C4CCC(N5C6CCNCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)CC(C4CCNC5C4CCC4CCCNC45)C3)CC2)CC1.

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

The InChIKey is DHLBTEIXAWURPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H130N8/c1-5-15-57(16-6-1)81(58-17-7-2-8-18-58)63-32-35-71-67(47-63)69-49-77-41-38-73(69)83(71)61-28-23-51(24-29-61)54-44-55(46-56(45-54)65-37-43-80-76-66(65)34-27-53-14-13-40-79-75(53)76)52-25-30-62(31-26-52)84-72-36-33-64(48-68(72)70-50-78-42-39-74(70)84)82(59-19-9-3-10-20-59)60-21-11-4-12-22-60/h51-80H,1-50H2.

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

5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine has a molecular weight of 1155.93 g/mol, XLogP of 14.49, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-1,10-phenanthrolin-4-yl)-5-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 140888589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).