CID 142424749

C74H70 — CID 142424749

IUPAC—
SMILESC=C(/C(C)=C(\C)c1ccccc1)c1ccc(-c2ccccc2)cc1.C=C1/C=C\C=CC2(C3=C1C=CCC3)c1ccccc1C1(c3ccccc3-c3ccc(C(C)C)cc31)c1ccccc12.CC.Cc1ccccc1
InChIInChI=1S/C41H34.C24H22.C7H8.C2H6/c1-27(2)29-23-24-32-31-16-5-7-18-34(31)41(39(32)26-29)37-21-10-8-19-35(37)40(36-20-9-11-22-38(36)41)25-13-12-14-28(3)30-15-4-6-17-33(30)40;1-18(19(2)21-10-6-4-7-11-21)20(3)22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-7-5-3-2-4-6-7;1-2/h4-5,7-16,18-27H,3,6,17H2,1-2H3;4-17H,3H2,1-2H3;2-6H,1H3;1-2H3/b14-12-,25-13?;19-18+;;
InChIKeyMEHWEHFLAPCWOK-PEGMFTTRSA-N
MW959.37 g/mol
LogP19.98
Rot. Bonds5

About CID 142424749

CID 142424749 (PubChem CID 142424749) has the molecular formula C74H70 and a molecular weight of 959.37 g/mol.

Molecular Properties

Compound NameCID 142424749
PubChem CID142424749
Molecular FormulaC74H70
Molecular Weight959.37 g/mol
Exact Mass958.55
IUPAC Name—
SMILESC=C(/C(C)=C(\C)c1ccccc1)c1ccc(-c2ccccc2)cc1.C=C1/C=C\C=CC2(C3=C1C=CCC3)c1ccccc1C1(c3ccccc3-c3ccc(C(C)C)cc31)c1ccccc12.CC.Cc1ccccc1
InChIInChI=1S/C41H34.C24H22.C7H8.C2H6/c1-27(2)29-23-24-32-31-16-5-7-18-34(31)41(39(32)26-29)37-21-10-8-19-35(37)40(36-20-9-11-22-38(36)41)25-13-12-14-28(3)30-15-4-6-17-33(30)40;1-18(19(2)21-10-6-4-7-11-21)20(3)22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-7-5-3-2-4-6-7;1-2/h4-5,7-16,18-27H,3,6,17H2,1-2H3;4-17H,3H2,1-2H3;2-6H,1H3;1-2H3/b14-12-,25-13?;19-18+;;
InChIKeyMEHWEHFLAPCWOK-PEGMFTTRSA-N
XLogP19.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.37
LogP ≤ 519.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
2-butan-2-yl-9,9-diphenylfluorene;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-phenylbenzene
CID 144810091
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene
CID 142504501
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
cyclohexa-1,5-dien-1-yl-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]methanone
CID 123732928
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 71108881
N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine
CID 145158280
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798

Frequently Asked Questions

What is the IUPAC name of CID 142424749?
The IUPAC name of CID 142424749 (CID 142424749) is not available.
What is the SMILES notation for CID 142424749?
The canonical SMILES for CID 142424749 is C=C(/C(C)=C(\C)c1ccccc1)c1ccc(-c2ccccc2)cc1.C=C1/C=C\C=CC2(C3=C1C=CCC3)c1ccccc1C1(c3ccccc3-c3ccc(C(C)C)cc31)c1ccccc12.CC.Cc1ccccc1.
What is the InChIKey of CID 142424749?
The InChIKey is MEHWEHFLAPCWOK-PEGMFTTRSA-N. The full InChI is InChI=1S/C41H34.C24H22.C7H8.C2H6/c1-27(2)29-23-24-32-31-16-5-7-18-34(31)41(39(32)26-29)37-21-10-8-19-35(37)40(36-20-9-11-22-38(36)41)25-13-12-14-28(3)30-15-4-6-17-33(30)40;1-18(19(2)21-10-6-4-7-11-21)20(3)22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-7-5-3-2-4-6-7;1-2/h4-5,7-16,18-27H,3,6,17H2,1-2H3;4-17H,3H2,1-2H3;2-6H,1H3;1-2H3/b14-12-,25-13?;19-18+;;.
What are the key properties of CID 142424749?
CID 142424749 has a molecular weight of 959.37 g/mol, XLogP of 19.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142424749 is sourced from PubChem (CID 142424749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).