bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane

C52H44N2O — CID 158084543

IUPACbis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane
SMILESC.C.Cc1ccc(-c2ccccc2)c(C(O)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C50H36N2O.2CH4/c1-34-29-30-40(35-15-3-2-4-16-35)45(31-34)50(53,36-17-13-19-38(32-36)51-46-25-9-5-21-41(46)42-22-6-10-26-47(42)51)37-18-14-20-39(33-37)52-48-27-11-7-23-43(48)44-24-8-12-28-49(44)52;;/h2-33,53H,1H3;2*1H4
InChIKeyFNIUCUNTTUUHSU-UHFFFAOYSA-N
MW712.94 g/mol
LogP13.41
Rot. Bonds6

About bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane

bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane (PubChem CID 158084543) has the molecular formula C52H44N2O and a molecular weight of 712.94 g/mol. Its IUPAC name is bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane.

Molecular Properties

Compound Namebis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane
PubChem CID158084543
Molecular FormulaC52H44N2O
Molecular Weight712.94 g/mol
Exact Mass712.35
IUPAC Namebis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane
SMILESC.C.Cc1ccc(-c2ccccc2)c(C(O)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C50H36N2O.2CH4/c1-34-29-30-40(35-15-3-2-4-16-35)45(31-34)50(53,36-17-13-19-38(32-36)51-46-25-9-5-21-41(46)42-22-6-10-26-47(42)51)37-18-14-20-39(33-37)52-48-27-11-7-23-43(48)44-24-8-12-28-49(44)52;;/h2-33,53H,1H3;2*1H4
InChIKeyFNIUCUNTTUUHSU-UHFFFAOYSA-N
XLogP13.41
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 513.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
ethane;9-(3-methylphenyl)carbazole
CID 143904684
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride
CID 162045009
2-methyl-9-phenylcarbazole
CID 59552741

Frequently Asked Questions

What is the IUPAC name of bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane?
The IUPAC name of bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane (CID 158084543) is bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane.
What is the SMILES notation for bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane?
The canonical SMILES for bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane is C.C.Cc1ccc(-c2ccccc2)c(C(O)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane?
The InChIKey is FNIUCUNTTUUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O.2CH4/c1-34-29-30-40(35-15-3-2-4-16-35)45(31-34)50(53,36-17-13-19-38(32-36)51-46-25-9-5-21-41(46)42-22-6-10-26-47(42)51)37-18-14-20-39(33-37)52-48-27-11-7-23-43(48)44-24-8-12-28-49(44)52;;/h2-33,53H,1H3;2*1H4.
What are the key properties of bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane?
bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane has a molecular weight of 712.94 g/mol, XLogP of 13.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane is sourced from PubChem (CID 158084543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).