CID 156685323

C54H34N6O — CID 156685323

IUPAC—
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3cccnc3-c3ncccc31)c1cc(N)cnc1-2
InChIInChI=1S/C54H34N6O/c1-29-15-17-45-35(21-29)36-22-30(2)16-18-46(36)60(45)32-24-44-52(59-28-32)51-43(23-31(55)27-58-51)54(44)38-11-5-6-14-47(38)61-48-26-41-34(25-42(48)54)33-9-3-4-10-37(33)53(41)39-12-7-19-56-49(39)50-40(53)13-8-20-57-50/h3-28H,55H2,1-2H3
InChIKeyLHYXGWMDONMVST-UHFFFAOYSA-N
MW782.91 g/mol
LogP11.38
Rot. Bonds1

About CID 156685323

CID 156685323 (PubChem CID 156685323) has the molecular formula C54H34N6O and a molecular weight of 782.91 g/mol.

Molecular Properties

Compound NameCID 156685323
PubChem CID156685323
Molecular FormulaC54H34N6O
Molecular Weight782.91 g/mol
Exact Mass782.28
IUPAC Name—
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3cccnc3-c3ncccc31)c1cc(N)cnc1-2
InChIInChI=1S/C54H34N6O/c1-29-15-17-45-35(21-29)36-22-30(2)16-18-46(36)60(45)32-24-44-52(59-28-32)51-43(23-31(55)27-58-51)54(44)38-11-5-6-14-47(38)61-48-26-41-34(25-42(48)54)33-9-3-4-10-37(33)53(41)39-12-7-19-56-49(39)50-40(53)13-8-20-57-50/h3-28H,55H2,1-2H3
InChIKeyLHYXGWMDONMVST-UHFFFAOYSA-N
XLogP11.38
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.91
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;7-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-ethyl-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium
CID 158768789
2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline
CID 159010418
2-(9,9-dimethylfluoren-3-yl)pyridine;2-[2,4-dimethyl-3-(4-methylphenyl)phenyl]pyridine;2-[3-(2,6-dimethylphenyl)phenyl]pyridine;N,N-dimethyl-4-(3-pyridin-2-ylphenyl)aniline;2-(9H-fluoren-3-yl)pyridine;2-[3-(4-fluorophenyl)phenyl]pyridine;2-[3-(4-isocyanophenyl)phenyl]pyridine;2-[3-(4-methoxyphenyl)phenyl]pyridine;2-[3-(4-methylphenyl)phenyl]pyridine;9-methyl-3-pyridin-2-ylcarbazole;2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyridine;2-[3-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 160655838
2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium
CID 161710830
9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole
CID 20710134
6-Methyl-13-phenyl-13-(4-piperidin-1-ylphenyl)spiro[12-oxa-6-azahexacyclo[15.7.0.02,10.03,7.011,16.019,24]tetracosa-1(17),2(10),3(7),4,8,11(16),14,19,21,23-decaene-18,2'-bicyclo[2.2.1]heptane]
CID 20721542
2-[3-[2,7-Diethoxy-9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574254
2-[3-[9-[3-(1,10-Phenanthrolin-2-yl)phenyl]-2,7-diphenoxyfluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574289
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methoxy-N-(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazol-3-amine
CID 58384082
2-(2'-Quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline
CID 59096345
2-[2'-(1,7-Phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,7-phenanthroline
CID 59096366
2-[2'-(1,10-Phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline
CID 59096377

Frequently Asked Questions

What is the IUPAC name of CID 156685323?
The IUPAC name of CID 156685323 (CID 156685323) is not available.
What is the SMILES notation for CID 156685323?
The canonical SMILES for CID 156685323 is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3cccnc3-c3ncccc31)c1cc(N)cnc1-2.
What is the InChIKey of CID 156685323?
The InChIKey is LHYXGWMDONMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6O/c1-29-15-17-45-35(21-29)36-22-30(2)16-18-46(36)60(45)32-24-44-52(59-28-32)51-43(23-31(55)27-58-51)54(44)38-11-5-6-14-47(38)61-48-26-41-34(25-42(48)54)33-9-3-4-10-37(33)53(41)39-12-7-19-56-49(39)50-40(53)13-8-20-57-50/h3-28H,55H2,1-2H3.
What are the key properties of CID 156685323?
CID 156685323 has a molecular weight of 782.91 g/mol, XLogP of 11.38, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156685323 is sourced from PubChem (CID 156685323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).