4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C101H64N4O — CID 156541745

About 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 156541745) has the molecular formula C101H64N4O and a molecular weight of 1349.65 g/mol. Its IUPAC name is 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

• Compound Name: 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• PubChem CID: 156541745
• Molecular Formula: C101H64N4O
• Molecular Weight: 1349.65 g/mol
• Exact Mass: 1348.51
• IUPAC Name: 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccc(-c5ccc6c(c5)c5ccc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-n8c9ccccc9c9cccc7c98)cc5n6-c5ccccc5)cc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21
• InChI: InChI=1S/C101H64N4O/c1-99(2)77-35-11-12-36-78(77)100(82-40-21-31-67(95(82)99)63-49-53-71-69-29-9-16-44-86(69)102(92(71)59-63)65-25-5-3-6-26-65)79-37-13-18-46-90(79)105-89-56-52-62(58-76(89)74-34-24-41-83(100)97(74)105)61-51-55-88-75(57-61)72-54-50-64(60-93(72)103(88)66-27-7-4-8-28-66)68-32-22-43-85-98(68)106-94-48-20-15-39-81(94)101(85)80-38-14-19-47-91(80)104-87-45-17-10-30-70(87)73-33-23-42-84(101)96(73)104/h3-60H,1-2H3
• InChIKey: KQQGAHPDBORBPF-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 28.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1349.65
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The IUPAC name of 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 156541745) is 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

What is the SMILES notation for 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The canonical SMILES for 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccc(-c5ccc6c(c5)c5ccc(-c7cccc8c7Oc7ccccc7C87c8ccccc8-n8c9ccccc9c9cccc7c98)cc5n6-c5ccccc5)cc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.

What is the InChIKey of 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The InChIKey is KQQGAHPDBORBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H64N4O/c1-99(2)77-35-11-12-36-78(77)100(82-40-21-31-67(95(82)99)63-49-53-71-69-29-9-16-44-86(69)102(92(71)59-63)65-25-5-3-6-26-65)79-37-13-18-46-90(79)105-89-56-52-62(58-76(89)74-34-24-41-83(100)97(74)105)61-51-55-88-75(57-61)72-54-50-64(60-93(72)103(88)66-27-7-4-8-28-66)68-32-22-43-85-98(68)106-94-48-20-15-39-81(94)101(85)80-38-14-19-47-91(80)104-87-45-17-10-30-70(87)73-33-23-42-84(101)96(73)104/h3-60H,1-2H3.

What are the key properties of 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 1349.65 g/mol, XLogP of 25.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 156541745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).