2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole

C101H64N4 — CID 137494230

IUPAC2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5cc(CCCc6nc7ccccc7n6-c6cccc(-c7cc8c(c9ccccc79)-c7c(ccc9ccccc79)C87c8ccccc8-c8ccccc87)c6)ccc35)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C101H64N4/c1-2-27-64(28-3-1)99-103-91-47-19-21-49-93(91)105(99)69-32-24-30-66(59-69)81-61-89-98(79-41-9-7-35-73(79)81)96-71-54-51-62(57-67(71)53-56-87(96)101(89)84-44-16-12-38-76(84)77-39-13-17-45-85(77)101)25-22-50-94-102-90-46-18-20-48-92(90)104(94)68-31-23-29-65(58-68)80-60-88-97(78-40-8-6-34-72(78)80)95-70-33-5-4-26-63(70)52-55-86(95)100(88)82-42-14-10-36-74(82)75-37-11-15-43-83(75)100/h1-21,23-24,26-49,51-61H,22,25,50H2
InChIKeyHIKBCZWXQLEOCI-UHFFFAOYSA-N
MW1333.65 g/mol
LogP24.84
Rot. Bonds9

About 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole

2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole (PubChem CID 137494230) has the molecular formula C101H64N4 and a molecular weight of 1333.65 g/mol. Its IUPAC name is 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole
PubChem CID137494230
Molecular FormulaC101H64N4
Molecular Weight1333.65 g/mol
Exact Mass1332.51
IUPAC Name2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5cc(CCCc6nc7ccccc7n6-c6cccc(-c7cc8c(c9ccccc79)-c7c(ccc9ccccc79)C87c8ccccc8-c8ccccc87)c6)ccc35)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C101H64N4/c1-2-27-64(28-3-1)99-103-91-47-19-21-49-93(91)105(99)69-32-24-30-66(59-69)81-61-89-98(79-41-9-7-35-73(79)81)96-71-54-51-62(57-67(71)53-56-87(96)101(89)84-44-16-12-38-76(84)77-39-13-17-45-85(77)101)25-22-50-94-102-90-46-18-20-48-92(90)104(94)68-31-23-29-65(58-68)80-60-88-97(78-40-8-6-34-72(78)80)95-70-33-5-4-26-63(70)52-55-86(95)100(88)82-42-14-10-36-74(82)75-37-11-15-43-83(75)100/h1-21,23-24,26-49,51-61H,22,25,50H2
InChIKeyHIKBCZWXQLEOCI-UHFFFAOYSA-N
XLogP24.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.65
LogP ≤ 524.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole with MolForge

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Related Compounds

2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
CID 164938475
1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole
CID 160803337
2-ethyl-1-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-ylphenyl)benzimidazole
CID 137492995
9,9-diphenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124126
2-ethyl-1-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)benzimidazole
CID 145353229
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
CID 23590277
CID 23590277
CID 23590271
CID 23590271
1-phenyl-2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)benzimidazole
CID 140962713
4-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylquinazoline
CID 137494166
2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)benzimidazole
CID 137493062

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole (CID 137494230) is 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole is c1ccc(-c2nc3ccccc3n2-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5cc(CCCc6nc7ccccc7n6-c6cccc(-c7cc8c(c9ccccc79)-c7c(ccc9ccccc79)C87c8ccccc8-c8ccccc87)c6)ccc35)C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole?
The InChIKey is HIKBCZWXQLEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H64N4/c1-2-27-64(28-3-1)99-103-91-47-19-21-49-93(91)105(99)69-32-24-30-66(59-69)81-61-89-98(79-41-9-7-35-73(79)81)96-71-54-51-62(57-67(71)53-56-87(96)101(89)84-44-16-12-38-76(84)77-39-13-17-45-85(77)101)25-22-50-94-102-90-46-18-20-48-92(90)104(94)68-31-23-29-65(58-68)80-60-88-97(78-40-8-6-34-72(78)80)95-70-33-5-4-26-63(70)52-55-86(95)100(88)82-42-14-10-36-74(82)75-37-11-15-43-83(75)100/h1-21,23-24,26-49,51-61H,22,25,50H2.
What are the key properties of 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole?
2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole has a molecular weight of 1333.65 g/mol, XLogP of 24.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole is sourced from PubChem (CID 137494230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).