18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one

C196H144F2N4O4 — CID 165010633

About 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one

18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one (PubChem CID 165010633) has the molecular formula C196H144F2N4O4 and a molecular weight of 2657.33 g/mol. Its IUPAC name is 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one.

Molecular Properties

• Compound Name: 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
• PubChem CID: 165010633
• Molecular Formula: C196H144F2N4O4
• Molecular Weight: 2657.33 g/mol
• Exact Mass: 2655.12
• IUPAC Name: 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
• SMILES: CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1C2=O)C1(c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc21)c1ccccc1-3.CC1(C)c2ccccc2C(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4c(cc32)C(=O)c2ccccc2C4(F)F)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4c(cc32)C(=O)c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C51H39NO.C49H35F2NO.C49H37NO.C47H33NO/c1-49(2,3)30-22-24-36-43(26-30)50(4,5)44-28-38-33-15-7-11-19-41(33)51(45(38)29-39(44)48(36)53)40-18-10-6-14-32(40)37-27-31(23-25-42(37)51)52-46-20-12-8-16-34(46)35-17-9-13-21-47(35)52;1-28-19-29(2)22-33(21-28)52(34-23-30(3)20-31(4)24-34)32-17-18-37-35-11-5-8-14-41(35)48(44(37)25-32)42-15-9-6-12-36(42)39-26-46-40(27-45(39)48)47(53)38-13-7-10-16-43(38)49(46,50)51;1-30-17-21-32(22-18-30)50(33-23-19-31(2)20-24-33)34-25-26-37-35-11-5-9-15-42(35)49(45(37)27-34)43-16-10-6-12-36(43)39-28-44-40(29-46(39)49)47(51)38-13-7-8-14-41(38)48(44,3)4;1-46(2)39-22-12-11-21-36(39)45(49)38-29-44-37(28-42(38)46)34-20-10-14-24-41(34)47(44)40-23-13-9-19-33(40)35-26-25-32(27-43(35)47)48(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h6-29H,1-5H3;5-27H,1-4H3;5-29H,1-4H3;3-29H,1-2H3
• InChIKey: JQMQBRBJYIIREB-UHFFFAOYSA-N
• XLogP: 48.07
• TPSA: 82.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2657.33
LogP ≤ 5	48.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?

The IUPAC name of 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one (CID 165010633) is 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one.

What is the SMILES notation for 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?

The canonical SMILES for 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1C2=O)C1(c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc21)c1ccccc1-3.CC1(C)c2ccccc2C(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4c(cc32)C(=O)c2ccccc2C4(F)F)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4c(cc32)C(=O)c2ccccc2C4(C)C)cc1.

What is the InChIKey of 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?

The InChIKey is JQMQBRBJYIIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO.C49H35F2NO.C49H37NO.C47H33NO/c1-49(2,3)30-22-24-36-43(26-30)50(4,5)44-28-38-33-15-7-11-19-41(33)51(45(38)29-39(44)48(36)53)40-18-10-6-14-32(40)37-27-31(23-25-42(37)51)52-46-20-12-8-16-34(46)35-17-9-13-21-47(35)52;1-28-19-29(2)22-33(21-28)52(34-23-30(3)20-31(4)24-34)32-17-18-37-35-11-5-8-14-41(35)48(44(37)25-32)42-15-9-6-12-36(42)39-26-46-40(27-45(39)48)47(53)38-13-7-10-16-43(38)49(46,50)51;1-30-17-21-32(22-18-30)50(33-23-19-31(2)20-24-33)34-25-26-37-35-11-5-9-15-42(35)49(45(37)27-34)43-16-10-6-12-36(43)39-28-44-40(29-46(39)49)47(51)38-13-7-8-14-41(38)48(44,3)4;1-46(2)39-22-12-11-21-36(39)45(49)38-29-44-37(28-42(38)46)34-20-10-14-24-41(34)47(44)40-23-13-9-19-33(40)35-26-25-32(27-43(35)47)48(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h6-29H,1-5H3;5-27H,1-4H3;5-29H,1-4H3;3-29H,1-2H3.

What are the key properties of 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?

18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one has a molecular weight of 2657.33 g/mol, XLogP of 48.07, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18'-tert-butyl-3-carbazol-9-yl-21',21'-dimethylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-14'-one;21',21'-dimethyl-2-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;21',21'-dimethyl-2-(N-phenylanilino)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one;2-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-21',21'-difluorospiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one is sourced from PubChem (CID 165010633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).