CID 59776057

C76H48O2 — CID 59776057

IUPAC—
SMILESCc1cc2c3c(c4c(c2cc1C)-c1ccc(C(=O)c2ccccc2-c2ccccc2)cc1C41c2ccccc2-c2ccccc21)C1(c2ccccc2-c2ccccc21)c1cc(C(=O)c2ccccc2-c2ccccc2)ccc1-3
InChIInChI=1S/C76H48O2/c1-45-41-61-62(42-46(45)2)70-60-40-38-50(74(78)58-32-12-10-26-52(58)48-23-7-4-8-24-48)44-68(60)76(65-35-19-15-29-55(65)56-30-16-20-36-66(56)76)72(70)71-69(61)59-39-37-49(73(77)57-31-11-9-25-51(57)47-21-5-3-6-22-47)43-67(59)75(71)63-33-17-13-27-53(63)54-28-14-18-34-64(54)75/h3-44H,1-2H3
InChIKeyAOMWDBIIRXGRAI-UHFFFAOYSA-N
MW993.22 g/mol
LogP17.94
Rot. Bonds6

About CID 59776057

CID 59776057 (PubChem CID 59776057) has the molecular formula C76H48O2 and a molecular weight of 993.22 g/mol.

Molecular Properties

Compound NameCID 59776057
PubChem CID59776057
Molecular FormulaC76H48O2
Molecular Weight993.22 g/mol
Exact Mass992.37
IUPAC Name—
SMILESCc1cc2c3c(c4c(c2cc1C)-c1ccc(C(=O)c2ccccc2-c2ccccc2)cc1C41c2ccccc2-c2ccccc21)C1(c2ccccc2-c2ccccc21)c1cc(C(=O)c2ccccc2-c2ccccc2)ccc1-3
InChIInChI=1S/C76H48O2/c1-45-41-61-62(42-46(45)2)70-60-40-38-50(74(78)58-32-12-10-26-52(58)48-23-7-4-8-24-48)44-68(60)76(65-35-19-15-29-55(65)56-30-16-20-36-66(56)76)72(70)71-69(61)59-39-37-49(73(77)57-31-11-9-25-51(57)47-21-5-3-6-22-47)43-67(59)75(71)63-33-17-13-27-53(63)54-28-14-18-34-64(54)75/h3-44H,1-2H3
InChIKeyAOMWDBIIRXGRAI-UHFFFAOYSA-N
XLogP17.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.22
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59217319
CID 59217319
1-[2,5-dimethyl-4-[N-methyl-C-(9,9'-spirobi[fluorene]-2-yl)carbonimidoyl]phenyl]-N-methyl-1-(9,9'-spirobi[fluorene]-2-yl)methanimine;1-[4-[C-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-N-methylcarbonimidoyl]phenyl]-N-methyl-1-(9,9'-spirobi[fluorene]-2-yl)methanimine;1-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-N-methyl-1-(9,9'-spirobi[fluorene]-2-yl)methanimine;N-methyl-1,1-bis(2-methyl-9,9'-spirobi[fluorene]-2'-yl)methanimine;N-methyl-1-[4-[N-methyl-C-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)carbonimidoyl]phenyl]-1-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)methanimine
CID 159118182
(4-methylphenyl)-[11,11,12,12-tetramethyl-2-(4-methylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]indolo[3,2-b]carbazole;(2-phenylphenyl)-[11,11,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;(2-phenylphenyl)-[6,6,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[1,2-b]fluoren-8-yl]methanone
CID 159548823
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
[2-(3,5-diphenylphenyl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yl]-phenylmethanone
CID 88558299
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
CID 122627133
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
4-(3,5-diphenylphenyl)-2-phenyl-6-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-2-ylpyridine
CID 155186253
[2-benzoyl-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]-phenylmethanone
CID 58084722
[2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129129835

Frequently Asked Questions

What is the IUPAC name of CID 59776057?
The IUPAC name of CID 59776057 (CID 59776057) is not available.
What is the SMILES notation for CID 59776057?
The canonical SMILES for CID 59776057 is Cc1cc2c3c(c4c(c2cc1C)-c1ccc(C(=O)c2ccccc2-c2ccccc2)cc1C41c2ccccc2-c2ccccc21)C1(c2ccccc2-c2ccccc21)c1cc(C(=O)c2ccccc2-c2ccccc2)ccc1-3.
What is the InChIKey of CID 59776057?
The InChIKey is AOMWDBIIRXGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48O2/c1-45-41-61-62(42-46(45)2)70-60-40-38-50(74(78)58-32-12-10-26-52(58)48-23-7-4-8-24-48)44-68(60)76(65-35-19-15-29-55(65)56-30-16-20-36-66(56)76)72(70)71-69(61)59-39-37-49(73(77)57-31-11-9-25-51(57)47-21-5-3-6-22-47)43-67(59)75(71)63-33-17-13-27-53(63)54-28-14-18-34-64(54)75/h3-44H,1-2H3.
What are the key properties of CID 59776057?
CID 59776057 has a molecular weight of 993.22 g/mol, XLogP of 17.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59776057 is sourced from PubChem (CID 59776057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).