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]

C57H38 — CID 145276608

IUPAC1-[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]
SMILESc1ccc(-c2ccc(C(Cc3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H38/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)49(39-18-5-2-6-19-39)34-41-20-15-27-48-46-25-11-13-28-53(46)57(56(41)48)54-29-14-12-26-47(54)52-35-50-44-23-9-7-21-42(44)43-22-8-10-24-45(43)51(50)36-55(52)57/h1-33,35-36,49H,34H2
InChIKeyVLMIPASMYGOZIB-UHFFFAOYSA-N
MW722.93 g/mol
LogP14.53
Rot. Bonds5

About 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]

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] (PubChem CID 145276608) has the molecular formula C57H38 and a molecular weight of 722.93 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name1-[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]
PubChem CID145276608
Molecular FormulaC57H38
Molecular Weight722.93 g/mol
Exact Mass722.30
IUPAC Name1-[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]
SMILESc1ccc(-c2ccc(C(Cc3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H38/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)49(39-18-5-2-6-19-39)34-41-20-15-27-48-46-25-11-13-28-53(46)57(56(41)48)54-29-14-12-26-47(54)52-35-50-44-23-9-7-21-42(44)43-22-8-10-24-45(43)51(50)36-55(52)57/h1-33,35-36,49H,34H2
InChIKeyVLMIPASMYGOZIB-UHFFFAOYSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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] with MolForge

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Related Compounds

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
19'-(3,5-diphenylphenyl)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(22),18,20-dodecaene]
CID 158550157
4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
CID 166825044
2,4-diphenyl-6-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-ylpyridine
CID 134528188
20'-(3-triphenylen-2-ylphenyl)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(22),18,20-dodecaene]
CID 159754407
2-naphthalen-1-ylspiro[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 140873354
14',21'-bis(3,5-diphenylphenyl)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175351
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]
CID 123187266
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
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

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2ccc(C(Cc3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c3ccccc3)cc2)cc1.
What is the InChIKey of 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]?
The InChIKey is VLMIPASMYGOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)49(39-18-5-2-6-19-39)34-41-20-15-27-48-46-25-11-13-28-53(46)57(56(41)48)54-29-14-12-26-47(54)52-35-50-44-23-9-7-21-42(44)43-22-8-10-24-45(43)51(50)36-55(52)57/h1-33,35-36,49H,34H2.
What are the key properties of 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]?
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] has a molecular weight of 722.93 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 145276608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).