9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C52H60N4O — CID 167345867

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C6C(C7CCCCC7)CCCC6C6CCCCC6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C52H60N4O/c1-52(2,3)38-30-31-53-50(32-38)56-46-25-11-10-22-44(46)45-29-28-41(34-49(45)56)57-40-21-14-20-39(33-40)54-35-55(48-27-13-12-26-47(48)54)51-42(36-16-6-4-7-17-36)23-15-24-43(51)37-18-8-5-9-19-37/h10-14,20-22,25-34,36-37,42-43,51H,4-9,15-19,23-24,35H2,1-3H3
InChIKeyPJEDZSQHJWCPDW-UHFFFAOYSA-N
MW757.08 g/mol
LogP14.13
Rot. Bonds7

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 167345867) has the molecular formula C52H60N4O and a molecular weight of 757.08 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID167345867
Molecular FormulaC52H60N4O
Molecular Weight757.08 g/mol
Exact Mass756.48
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C6C(C7CCCCC7)CCCC6C6CCCCC6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C52H60N4O/c1-52(2,3)38-30-31-53-50(32-38)56-46-25-11-10-22-44(46)45-29-28-41(34-49(45)56)57-40-21-14-20-39(33-40)54-35-55(48-27-13-12-26-47(48)54)51-42(36-16-6-4-7-17-36)23-15-24-43(51)37-18-8-5-9-19-37/h10-14,20-22,25-34,36-37,42-43,51H,4-9,15-19,23-24,35H2,1-3H3
InChIKeyPJEDZSQHJWCPDW-UHFFFAOYSA-N
XLogP14.13
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.08
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176781807
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294376
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155650892
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 167345867) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C6C(C7CCCCC7)CCCC6C6CCCCC6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is PJEDZSQHJWCPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N4O/c1-52(2,3)38-30-31-53-50(32-38)56-46-25-11-10-22-44(46)45-29-28-41(34-49(45)56)57-40-21-14-20-39(33-40)54-35-55(48-27-13-12-26-47(48)54)51-42(36-16-6-4-7-17-36)23-15-24-43(51)37-18-8-5-9-19-37/h10-14,20-22,25-34,36-37,42-43,51H,4-9,15-19,23-24,35H2,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 757.08 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dicyclohexylcyclohexyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 167345867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).