9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

C195H174N6O3 — CID 157370632

About 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 157370632) has the molecular formula C195H174N6O3 and a molecular weight of 2649.58 g/mol. Its IUPAC name is 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

• Compound Name: 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
• PubChem CID: 157370632
• Molecular Formula: C195H174N6O3
• Molecular Weight: 2649.58 g/mol
• Exact Mass: 2647.36
• IUPAC Name: 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3ccccc3c2-c2cc(-c3ccc4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3c(oc4ccccc43)c21.CC12CCCCC1(C)N(c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1cc(N4c5ccccc5C5(C)CCCCC45C)c4oc5ccccc5c4c1-3)c1ccccc12.CC12CCCCC1(C)N(c1ccccc1)c1cc(-c3cc4c(c5c3oc3ccccc35)-c3ccc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccccc5)cc3C4(c3ccccc3)c3ccccc3)ccc12
• InChI: InChI=1S/C71H62N2O.C65H60N2O.C59H52N2O/c1-67-39-19-21-41-69(67,3)73(53-29-15-8-16-30-53)62-45-49(34-37-57(62)67)56-46-60-64(65-55-31-17-18-32-63(55)74-66(56)65)54-36-33-47(43-58(54)71(60,50-23-9-5-10-24-50)51-25-11-6-12-26-51)48-35-38-61-59(44-48)68(2)40-20-22-42-70(68,4)72(61)52-27-13-7-14-28-52;1-61(2)53-40-48(41-29-31-54-51(37-41)62(3)33-17-19-35-64(62,5)66(54)43-21-9-7-10-22-43)45-25-13-14-26-46(45)57(53)50-39-49(58-47-27-15-16-28-56(47)68-60(58)59(50)61)42-30-32-55-52(38-42)63(4)34-18-20-36-65(63,6)67(55)44-23-11-8-12-24-44;1-55-31-15-17-33-57(55,3)60(48-26-12-10-24-44(48)55)37-29-30-40-46(35-37)59(42-22-8-5-19-38(42)39-20-6-9-23-43(39)59)47-36-50(54-53(52(40)47)41-21-7-14-28-51(41)62-54)61-49-27-13-11-25-45(49)56(2)32-16-18-34-58(56,61)4/h5-18,23-38,43-46H,19-22,39-42H2,1-4H3;7-16,21-32,37-40H,17-20,33-36H2,1-6H3;5-14,19-30,35-36H,15-18,31-34H2,1-4H3
• InChIKey: BJSJJYKMPUDIIM-UHFFFAOYSA-N
• XLogP: 52.04
• TPSA: 58.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2649.58
LogP ≤ 5	52.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?

The IUPAC name of 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (CID 157370632) is 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.

What is the SMILES notation for 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?

The canonical SMILES for 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is CC1(C)c2cc(-c3ccc4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3ccccc3c2-c2cc(-c3ccc4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3c(oc4ccccc43)c21.CC12CCCCC1(C)N(c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1cc(N4c5ccccc5C5(C)CCCCC45C)c4oc5ccccc5c4c1-3)c1ccccc12.CC12CCCCC1(C)N(c1ccccc1)c1cc(-c3cc4c(c5c3oc3ccccc35)-c3ccc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccccc5)cc3C4(c3ccccc3)c3ccccc3)ccc12.

What is the InChIKey of 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?

The InChIKey is BJSJJYKMPUDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H62N2O.C65H60N2O.C59H52N2O/c1-67-39-19-21-41-69(67,3)73(53-29-15-8-16-30-53)62-45-49(34-37-57(62)67)56-46-60-64(65-55-31-17-18-32-63(55)74-66(56)65)54-36-33-47(43-58(54)71(60,50-23-9-5-10-24-50)51-25-11-6-12-26-51)48-35-38-61-59(44-48)68(2)40-20-22-42-70(68,4)72(61)52-27-13-7-14-28-52;1-61(2)53-40-48(41-29-31-54-51(37-41)62(3)33-17-19-35-64(62,5)66(54)43-21-9-7-10-22-43)45-25-13-14-26-46(45)57(53)50-39-49(58-47-27-15-16-28-56(47)68-60(58)59(50)61)42-30-32-55-52(38-42)63(4)34-18-20-36-65(63,6)67(55)44-23-11-8-12-24-44;1-55-31-15-17-33-57(55,3)60(48-26-12-10-24-44(48)55)37-29-30-40-46(35-37)59(42-22-8-5-19-38(42)39-20-6-9-23-43(39)59)47-36-50(54-53(52(40)47)41-21-7-14-28-51(41)62-54)61-49-27-13-11-25-45(49)56(2)32-16-18-34-58(56,61)4/h5-18,23-38,43-46H,19-22,39-42H2,1-4H3;7-16,21-32,37-40H,17-20,33-36H2,1-6H3;5-14,19-30,35-36H,15-18,31-34H2,1-4H3.

What are the key properties of 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?

9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 2649.58 g/mol, XLogP of 52.04, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 157370632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).