CID 122469193

C52H32N2O — CID 122469193

IUPAC—
SMILESCc1nc2cccc3c2n1-c1ccc(-c2ccc4c(c2)C2(c5ccccc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc42)cc1O3
InChIInChI=1S/C52H32N2O/c1-31-53-46-23-12-24-48-50(46)54(31)47-28-26-33(30-49(47)55-48)32-25-27-37-36-15-4-7-18-40(36)52(45(37)29-32)43-21-10-8-19-41(43)51(42-20-9-11-22-44(42)52)38-16-5-2-13-34(38)35-14-3-6-17-39(35)51/h2-30H,1H3
InChIKeyWHVUPKAHAQUTJQ-UHFFFAOYSA-N
MW700.84 g/mol
LogP12.15
Rot. Bonds1

About CID 122469193

CID 122469193 (PubChem CID 122469193) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol.

Molecular Properties

Compound NameCID 122469193
PubChem CID122469193
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name—
SMILESCc1nc2cccc3c2n1-c1ccc(-c2ccc4c(c2)C2(c5ccccc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc42)cc1O3
InChIInChI=1S/C52H32N2O/c1-31-53-46-23-12-24-48-50(46)54(31)47-28-26-33(30-49(47)55-48)32-25-27-37-36-15-4-7-18-40(36)52(45(37)29-32)43-21-10-8-19-41(43)51(42-20-9-11-22-44(42)52)38-16-5-2-13-34(38)35-14-3-6-17-39(35)51/h2-30H,1H3
InChIKeyWHVUPKAHAQUTJQ-UHFFFAOYSA-N
XLogP12.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 134172494
5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469178
15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469243
15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262614
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
15-ethyl-8-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 135242468
CID 122486761
CID 122486761
2'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262842
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
6-methyl-2-[3-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole
CID 165061992
11-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170014946

Frequently Asked Questions

What is the IUPAC name of CID 122469193?
The IUPAC name of CID 122469193 (CID 122469193) is not available.
What is the SMILES notation for CID 122469193?
The canonical SMILES for CID 122469193 is Cc1nc2cccc3c2n1-c1ccc(-c2ccc4c(c2)C2(c5ccccc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc42)cc1O3.
What is the InChIKey of CID 122469193?
The InChIKey is WHVUPKAHAQUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-31-53-46-23-12-24-48-50(46)54(31)47-28-26-33(30-49(47)55-48)32-25-27-37-36-15-4-7-18-40(36)52(45(37)29-32)43-21-10-8-19-41(43)51(42-20-9-11-22-44(42)52)38-16-5-2-13-34(38)35-14-3-6-17-39(35)51/h2-30H,1H3.
What are the key properties of CID 122469193?
CID 122469193 has a molecular weight of 700.84 g/mol, XLogP of 12.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122469193 is sourced from PubChem (CID 122469193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).