2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol

C44H43N3O — CID 166511940

IUPAC2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2ccccn2)nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(-c4ccccc4O)cc32)c1
InChIInChI=1S/C44H43N3O/c1-27-14-13-15-28(2)42(27)29-22-37(36-17-11-12-21-45-36)46-41(23-29)47-38-20-19-30(43(3,4)5)24-33(38)34-25-35(44(6,7)8)32(26-39(34)47)31-16-9-10-18-40(31)48/h9-26,48H,1-8H3
InChIKeyDHSNQBHTSYGVOI-UHFFFAOYSA-N
MW629.85 g/mol
LogP11.49
Rot. Bonds4

About 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol

2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol (PubChem CID 166511940) has the molecular formula C44H43N3O and a molecular weight of 629.85 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol.

Molecular Properties

Compound Name2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol
PubChem CID166511940
Molecular FormulaC44H43N3O
Molecular Weight629.85 g/mol
Exact Mass629.34
IUPAC Name2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2ccccn2)nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(-c4ccccc4O)cc32)c1
InChIInChI=1S/C44H43N3O/c1-27-14-13-15-28(2)42(27)29-22-37(36-17-11-12-21-45-36)46-41(23-29)47-38-20-19-30(43(3,4)5)24-33(38)34-25-35(44(6,7)8)32(26-39(34)47)31-16-9-10-18-40(31)48/h9-26,48H,1-8H3
InChIKeyDHSNQBHTSYGVOI-UHFFFAOYSA-N
XLogP11.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 511.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600896
2-[3,6-ditert-butyl-2-(3-pyridin-2-ylsulfanylphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590193
3,6-ditert-butyl-9-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146653896
3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019339
3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 123277153
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(2-methyl-9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 168803349
2-[3-(3,5-ditert-butyl-N-[6-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum
CID 164731372
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
4-tert-butyl-2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593341
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
CID 164823623
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylpyrido[2,3-b]indol-6-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 168803373
3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 168820062

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol?
The IUPAC name of 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol (CID 166511940) is 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol.
What is the SMILES notation for 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol?
The canonical SMILES for 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol is Cc1cccc(C)c1-c1cc(-c2ccccn2)nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(-c4ccccc4O)cc32)c1.
What is the InChIKey of 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol?
The InChIKey is DHSNQBHTSYGVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N3O/c1-27-14-13-15-28(2)42(27)29-22-37(36-17-11-12-21-45-36)46-41(23-29)47-38-20-19-30(43(3,4)5)24-33(38)34-25-35(44(6,7)8)32(26-39(34)47)31-16-9-10-18-40(31)48/h9-26,48H,1-8H3.
What are the key properties of 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol?
2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol has a molecular weight of 629.85 g/mol, XLogP of 11.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol is sourced from PubChem (CID 166511940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).