CID 170654592

C65H50N6O — CID 170654592

IUPAC—
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c(-c6ccccc6)n5)nc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C65H50N6O/c1-44-37-61(66-42-57(44)48-27-16-8-17-28-48)71-58-36-33-50(45-21-10-5-11-22-45)38-56(58)55-35-34-51(39-59(55)71)72-52-40-60(65(2,3)4)67-62(41-52)70-43-69(64(68-70)49-29-18-9-19-30-49)63-53(46-23-12-6-13-24-46)31-20-32-54(63)47-25-14-7-15-26-47/h5-42H,1-4H3
InChIKeyLGIFXHJBWFYRFP-UHFFFAOYSA-N
MW931.16 g/mol
LogP15.57
Rot. Bonds10

About CID 170654592

CID 170654592 (PubChem CID 170654592) has the molecular formula C65H50N6O and a molecular weight of 931.16 g/mol.

Molecular Properties

Compound NameCID 170654592
PubChem CID170654592
Molecular FormulaC65H50N6O
Molecular Weight931.16 g/mol
Exact Mass930.40
IUPAC Name—
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c(-c6ccccc6)n5)nc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C65H50N6O/c1-44-37-61(66-42-57(44)48-27-16-8-17-28-48)71-58-36-33-50(45-21-10-5-11-22-45)38-56(58)55-35-34-51(39-59(55)71)72-52-40-60(65(2,3)4)67-62(41-52)70-43-69(64(68-70)49-29-18-9-19-30-49)63-53(46-23-12-6-13-24-46)31-20-32-54(63)47-25-14-7-15-26-47/h5-42H,1-4H3
InChIKeyLGIFXHJBWFYRFP-UHFFFAOYSA-N
XLogP15.57
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.16
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 170654691
CID 170654691
CID 170654728
CID 170654728
CID 170654690
CID 170654690
CID 170654623
CID 170654623
1-N-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 170271181
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
3-[3-[6-tert-butyl-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-6,7-bis(2,6-diphenylphenyl)-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide
CID 164833865
2-(3-bromophenoxy)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenylcarbazole
CID 168780563
[13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724119

Frequently Asked Questions

What is the IUPAC name of CID 170654592?
The IUPAC name of CID 170654592 (CID 170654592) is not available.
What is the SMILES notation for CID 170654592?
The canonical SMILES for CID 170654592 is Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c(-c6ccccc6)n5)nc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1.
What is the InChIKey of CID 170654592?
The InChIKey is LGIFXHJBWFYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N6O/c1-44-37-61(66-42-57(44)48-27-16-8-17-28-48)71-58-36-33-50(45-21-10-5-11-22-45)38-56(58)55-35-34-51(39-59(55)71)72-52-40-60(65(2,3)4)67-62(41-52)70-43-69(64(68-70)49-29-18-9-19-30-49)63-53(46-23-12-6-13-24-46)31-20-32-54(63)47-25-14-7-15-26-47/h5-42H,1-4H3.
What are the key properties of CID 170654592?
CID 170654592 has a molecular weight of 931.16 g/mol, XLogP of 15.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170654592 is sourced from PubChem (CID 170654592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).