1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

C49H32 — CID 145276570

IUPAC1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESc1ccc(C(Cc2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2ccccc2)cc1
InChIInChI=1S/C49H32/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)29-33-19-13-25-38-36-22-9-11-27-43(36)49(48(33)38)44-28-12-10-23-39(44)47-40-26-14-24-37-34-20-7-8-21-35(34)42(46(37)40)30-45(47)49/h1-28,30,41H,29H2
InChIKeyQCTWWZPEXWQTLW-UHFFFAOYSA-N
MW620.80 g/mol
LogP12.21
Rot. Bonds4

About 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (PubChem CID 145276570) has the molecular formula C49H32 and a molecular weight of 620.80 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].

Molecular Properties

Compound Name1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
PubChem CID145276570
Molecular FormulaC49H32
Molecular Weight620.80 g/mol
Exact Mass620.25
IUPAC Name1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESc1ccc(C(Cc2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2ccccc2)cc1
InChIInChI=1S/C49H32/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)29-33-19-13-25-38-36-22-9-11-27-43(36)49(48(33)38)44-28-12-10-23-39(44)47-40-26-14-24-37-34-20-7-8-21-35(34)42(46(37)40)30-45(47)49/h1-28,30,41H,29H2
InChIKeyQCTWWZPEXWQTLW-UHFFFAOYSA-N
XLogP12.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] with MolForge

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Related Compounds

spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
1-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 145276608
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
CID 134528204
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene
CID 134528286
16'-phenanthren-2-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 58390378
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
17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390382
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 126712785
N-phenyl-N-[4-[4-[4-[4-[4-(4-phenylphenyl)-N-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylanilino]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-amine
CID 134528583
CID 59181861
CID 59181861
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
CID 134528161

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The IUPAC name of 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (CID 145276570) is 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].
What is the SMILES notation for 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The canonical SMILES for 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is c1ccc(C(Cc2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The InChIKey is QCTWWZPEXWQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32/c1-3-15-31(16-4-1)41(32-17-5-2-6-18-32)29-33-19-13-25-38-36-22-9-11-27-43(36)49(48(33)38)44-28-12-10-23-39(44)47-40-26-14-24-37-34-20-7-8-21-35(34)42(46(37)40)30-45(47)49/h1-28,30,41H,29H2.
What are the key properties of 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] has a molecular weight of 620.80 g/mol, XLogP of 12.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is sourced from PubChem (CID 145276570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).