10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]

C55H37N3O — CID 160692127

About 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]

10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene] (PubChem CID 160692127) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene].

Molecular Properties

• Compound Name: 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]
• PubChem CID: 160692127
• Molecular Formula: C55H37N3O
• Molecular Weight: 755.92 g/mol
• Exact Mass: 755.29
• IUPAC Name: 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]
• SMILES: C1=CCC2C(=C1)N(c1ccc(-n3c4ccccc4c4cc5c(cc43)C3(C4=C(C=CCC4)O5)c4ccccc4-n4c5ccccc5c5cccc3c54)cc1)c1ccccc12
• InChI: InChI=1S/C55H37N3O/c1-7-22-46-36(14-1)37-15-2-8-23-47(37)56(46)34-28-30-35(31-29-34)57-48-24-9-4-17-39(48)41-32-53-45(33-51(41)57)55(43-20-6-12-27-52(43)59-53)42-19-5-11-26-50(42)58-49-25-10-3-16-38(49)40-18-13-21-44(55)54(40)58/h1-5,7-14,16-19,21-33,37H,6,15,20H2
• InChIKey: RPNQQPOXQKOPNM-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 22.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.92
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]?

The IUPAC name of 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene] (CID 160692127) is 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene].

What is the SMILES notation for 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]?

The canonical SMILES for 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene] is C1=CCC2C(=C1)N(c1ccc(-n3c4ccccc4c4cc5c(cc43)C3(C4=C(C=CCC4)O5)c4ccccc4-n4c5ccccc5c5cccc3c54)cc1)c1ccccc12.

What is the InChIKey of 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]?

The InChIKey is RPNQQPOXQKOPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-7-22-46-36(14-1)37-15-2-8-23-47(37)56(46)34-28-30-35(31-29-34)57-48-24-9-4-17-39(48)41-32-53-45(33-51(41)57)55(43-20-6-12-27-52(43)59-53)42-19-5-11-26-50(42)58-49-25-10-3-16-38(49)40-18-13-21-44(55)54(40)58/h1-5,7-14,16-19,21-33,37H,6,15,20H2.

What are the key properties of 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene]?

10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene] has a molecular weight of 755.92 g/mol, XLogP of 13.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),18-octaene] is sourced from PubChem (CID 160692127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).