2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

C46H47N3O — CID 136600896

IUPAC2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5cc(C(C)(C)C)ccc5n(-c5ccccn5)c4c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C46H47N3O/c1-44(2,3)32-18-20-40-37(28-32)35-19-17-29(26-41(35)49(40)43-16-12-13-21-47-43)38-24-31(25-39(48-38)36-14-10-11-15-42(36)50)30-22-33(45(4,5)6)27-34(23-30)46(7,8)9/h10-28,50H,1-9H3
InChIKeyCGJBHUBOICSNMQ-UHFFFAOYSA-N
MW657.90 g/mol
LogP12.17
Rot. Bonds4

About 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (PubChem CID 136600896) has the molecular formula C46H47N3O and a molecular weight of 657.90 g/mol. Its IUPAC name is 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
PubChem CID136600896
Molecular FormulaC46H47N3O
Molecular Weight657.90 g/mol
Exact Mass657.37
IUPAC Name2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5cc(C(C)(C)C)ccc5n(-c5ccccn5)c4c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C46H47N3O/c1-44(2,3)32-18-20-40-37(28-32)35-19-17-29(26-41(35)49(40)43-16-12-13-21-47-43)38-24-31(25-39(48-38)36-14-10-11-15-42(36)50)30-22-33(45(4,5)6)27-34(23-30)46(7,8)9/h10-28,50H,1-9H3
InChIKeyCGJBHUBOICSNMQ-UHFFFAOYSA-N
XLogP12.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(3-phenylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542382
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
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
2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
2-[3,6-ditert-butyl-9-[4-(2,6-dimethylphenyl)-6-pyridin-2-yl-2-pyridinyl]carbazol-2-yl]phenol
CID 166511940
2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 159163151
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
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-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093914
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 168820062
N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
CID 170933731

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (CID 136600896) is 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccc4c5cc(C(C)(C)C)ccc5n(-c5ccccn5)c4c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
The InChIKey is CGJBHUBOICSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N3O/c1-44(2,3)32-18-20-40-37(28-32)35-19-17-29(26-41(35)49(40)43-16-12-13-21-47-43)38-24-31(25-39(48-38)36-14-10-11-15-42(36)50)30-22-33(45(4,5)6)27-34(23-30)46(7,8)9/h10-28,50H,1-9H3.
What are the key properties of 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?
2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol has a molecular weight of 657.90 g/mol, XLogP of 12.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136600896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).