9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

C55H32 — CID 140962679

IUPAC9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C55H32/c1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46/h1-32H
InChIKeyQWIVOCARUPMUTF-UHFFFAOYSA-N
MW692.86 g/mol
LogP14.47
Rot. Bonds2

About 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (PubChem CID 140962679) has the molecular formula C55H32 and a molecular weight of 692.86 g/mol. Its IUPAC name is 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

Molecular Properties

Compound Name9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
PubChem CID140962679
Molecular FormulaC55H32
Molecular Weight692.86 g/mol
Exact Mass692.25
IUPAC Name9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C55H32/c1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46/h1-32H
InChIKeyQWIVOCARUPMUTF-UHFFFAOYSA-N
XLogP14.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] with MolForge

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Related Compounds

22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161140423
9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962879
9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961856
9'-(3-pyren-1-ylphenyl)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]
CID 140962412
5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962963
16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 161073348
7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
CID 140962324
20'-(2-fluoranthen-3-ylphenyl)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]
CID 140962797
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790

Frequently Asked Questions

What is the IUPAC name of 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The IUPAC name of 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (CID 140962679) is 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].
What is the SMILES notation for 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The canonical SMILES for 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is c1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The InChIKey is QWIVOCARUPMUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32/c1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46/h1-32H.
What are the key properties of 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] has a molecular weight of 692.86 g/mol, XLogP of 14.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is sourced from PubChem (CID 140962679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).