CID 144938378

C76H47NOSi- — CID 144938378

IUPAC—
SMILESc1ccc([Si-]2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)cc32)cc1
InChIInChI=1S/C76H47NOSi/c1-3-20-54(21-4-1)79(55-22-5-2-6-23-55)74-46-52(58-31-17-32-66-63-30-15-16-33-73(63)78-76(58)66)34-38-64(74)65-39-37-53(47-75(65)79)77-71-40-35-50(67-42-48-18-7-9-24-56(48)59-26-11-13-28-61(59)67)44-69(71)70-45-51(36-41-72(70)77)68-43-49-19-8-10-25-57(49)60-27-12-14-29-62(60)68/h1-47H/q-1
InChIKeyNSMBJBXNAIEGEE-UHFFFAOYSA-N
MW1018.30 g/mol
LogP17.65
Rot. Bonds6

About CID 144938378

CID 144938378 (PubChem CID 144938378) has the molecular formula C76H47NOSi- and a molecular weight of 1018.30 g/mol.

Molecular Properties

Compound NameCID 144938378
PubChem CID144938378
Molecular FormulaC76H47NOSi-
Molecular Weight1018.30 g/mol
Exact Mass1017.34
IUPAC Name—
SMILESc1ccc([Si-]2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)cc32)cc1
InChIInChI=1S/C76H47NOSi/c1-3-20-54(21-4-1)79(55-22-5-2-6-23-55)74-46-52(58-31-17-32-66-63-30-15-16-33-73(63)78-76(58)66)34-38-64(74)65-39-37-53(47-75(65)79)77-71-40-35-50(67-42-48-18-7-9-24-56(48)59-26-11-13-28-61(59)67)44-69(71)70-45-51(36-41-72(70)77)68-43-49-19-8-10-25-57(49)60-27-12-14-29-62(60)68/h1-47H/q-1
InChIKeyNSMBJBXNAIEGEE-UHFFFAOYSA-N
XLogP17.65
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.30
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 146850973
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
CID 144938473
9-(3-dibenzofuran-2-ylphenyl)-3-(6-phenanthren-9-yldibenzofuran-2-yl)carbazole
CID 121449285
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723

Frequently Asked Questions

What is the IUPAC name of CID 144938378?
The IUPAC name of CID 144938378 (CID 144938378) is not available.
What is the SMILES notation for CID 144938378?
The canonical SMILES for CID 144938378 is c1ccc([Si-]2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)cc32)cc1.
What is the InChIKey of CID 144938378?
The InChIKey is NSMBJBXNAIEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47NOSi/c1-3-20-54(21-4-1)79(55-22-5-2-6-23-55)74-46-52(58-31-17-32-66-63-30-15-16-33-73(63)78-76(58)66)34-38-64(74)65-39-37-53(47-75(65)79)77-71-40-35-50(67-42-48-18-7-9-24-56(48)59-26-11-13-28-61(59)67)44-69(71)70-45-51(36-41-72(70)77)68-43-49-19-8-10-25-57(49)60-27-12-14-29-62(60)68/h1-47H/q-1.
What are the key properties of CID 144938378?
CID 144938378 has a molecular weight of 1018.30 g/mol, XLogP of 17.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144938378 is sourced from PubChem (CID 144938378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).