2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]

C55H54 — CID 123582505

IUPAC2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]
SMILESC1=CCC2C3=CCC(C(C4=CC5=C(CC4)C4=C(C=CCC4)C54C5=C(CCC=C5)C5=C4C=CCC5)C4=CCCC=C4c4ccccc4)C=C3C3(CCCC3)C2=C1
InChIInChI=1S/C55H54/c1-2-16-36(17-3-1)39-18-4-5-23-46(39)53(37-28-30-44-40-19-6-10-24-47(40)54(51(44)34-37)32-14-15-33-54)38-29-31-45-43-22-9-13-27-50(43)55(52(45)35-38)48-25-11-7-20-41(48)42-21-8-12-26-49(42)55/h1-3,6,10-13,16-18,23-27,30,34-35,37,40,53H,4-5,7-9,14-15,19-22,28-29,31-33H2
InChIKeyCLFGDKAPQVSPGU-UHFFFAOYSA-N
MW715.04 g/mol
LogP14.33
Rot. Bonds4

About 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]

2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] (PubChem CID 123582505) has the molecular formula C55H54 and a molecular weight of 715.04 g/mol. Its IUPAC name is 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene].

Molecular Properties

Compound Name2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]
PubChem CID123582505
Molecular FormulaC55H54
Molecular Weight715.04 g/mol
Exact Mass714.42
IUPAC Name2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]
SMILESC1=CCC2C3=CCC(C(C4=CC5=C(CC4)C4=C(C=CCC4)C54C5=C(CCC=C5)C5=C4C=CCC5)C4=CCCC=C4c4ccccc4)C=C3C3(CCCC3)C2=C1
InChIInChI=1S/C55H54/c1-2-16-36(17-3-1)39-18-4-5-23-46(39)53(37-28-30-44-40-19-6-10-24-47(40)54(51(44)34-37)32-14-15-33-54)38-29-31-45-43-22-9-13-27-50(43)55(52(45)35-38)48-25-11-7-20-41(48)42-21-8-12-26-49(42)55/h1-3,6,10-13,16-18,23-27,30,34-35,37,40,53H,4-5,7-9,14-15,19-22,28-29,31-33H2
InChIKeyCLFGDKAPQVSPGU-UHFFFAOYSA-N
XLogP14.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.04
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] with MolForge

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Related Compounds

6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene
CID 163623373
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[4b,5-dihydrofluorene-9,1'-cyclobutane]-3-amine
CID 144519701
5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
CID 123370130
spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146409948
spiro[2,3,5,6-tetrahydrofluorene-9,1'-cyclopentane]-4-amine
CID 147716485
9-cyclohexa-1,3-dien-1-yl-8-(1'-phenylspiro[3,4,5,10a-tetrahydroxanthene-9,9'-3,4,8a,10a-tetrahydroxanthene]-1-yl)-4a,9a-dihydrocarbazole
CID 134527387
14,22-diphenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
CID 118203367
spiro[4,4a-dihydrofluorene-9,9'-fluorene]
CID 154012789
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 146384834
22-cyclohexa-1,5-dien-1-yl-14-phenyl-9,14,22-triazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),5,7,15(23),16(21),17-heptaene
CID 118203686
2-N,7-N-di(cyclohexa-1,3-dien-1-yl)-7-N-cyclohexa-2,4-dien-1-yl-2-N,2-N',2-N',7-N',7-N'-pentakis-phenyl-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]-2,2',7,7'-tetramine
CID 168834129
9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine
CID 174290455

Frequently Asked Questions

What is the IUPAC name of 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]?
The IUPAC name of 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] (CID 123582505) is 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene].
What is the SMILES notation for 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]?
The canonical SMILES for 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] is C1=CCC2C3=CCC(C(C4=CC5=C(CC4)C4=C(C=CCC4)C54C5=C(CCC=C5)C5=C4C=CCC5)C4=CCCC=C4c4ccccc4)C=C3C3(CCCC3)C2=C1.
What is the InChIKey of 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]?
The InChIKey is CLFGDKAPQVSPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54/c1-2-16-36(17-3-1)39-18-4-5-23-46(39)53(37-28-30-44-40-19-6-10-24-47(40)54(51(44)34-37)32-14-15-33-54)38-29-31-45-43-22-9-13-27-50(43)55(52(45)35-38)48-25-11-7-20-41(48)42-21-8-12-26-49(42)55/h1-3,6,10-13,16-18,23-27,30,34-35,37,40,53H,4-5,7-9,14-15,19-22,28-29,31-33H2.
What are the key properties of 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]?
2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] has a molecular weight of 715.04 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(6-phenylcyclohexa-1,5-dien-1-yl)-spiro[2,3,4b,5-tetrahydrofluorene-9,1'-cyclopentane]-2-ylmethyl]-9,9'-spirobi[3,4,5,6-tetrahydrofluorene] is sourced from PubChem (CID 123582505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).