9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole

C52H48N4 — CID 140715589

IUPAC9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
SMILESCN1CN(c2ccc3c4ccccc4n(-c4cccc(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)c4)c3c2)c2ccccc21
InChIInChI=1S/C52H48N4/c1-50(2,3)34-22-25-39-40-26-23-35(51(4,5)6)31-44(40)52(43(39)30-34,49-21-12-13-28-53-49)36-15-14-16-38(29-36)56-45-18-9-8-17-41(45)42-27-24-37(32-48(42)56)55-33-54(7)46-19-10-11-20-47(46)55/h8-32H,33H2,1-7H3
InChIKeyJCZKTUYBUACWNB-UHFFFAOYSA-N
MW728.98 g/mol
LogP12.68
Rot. Bonds4

About 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole

9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole (PubChem CID 140715589) has the molecular formula C52H48N4 and a molecular weight of 728.98 g/mol. Its IUPAC name is 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole.

Molecular Properties

Compound Name9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
PubChem CID140715589
Molecular FormulaC52H48N4
Molecular Weight728.98 g/mol
Exact Mass728.39
IUPAC Name9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
SMILESCN1CN(c2ccc3c4ccccc4n(-c4cccc(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)c4)c3c2)c2ccccc21
InChIInChI=1S/C52H48N4/c1-50(2,3)34-22-25-39-40-26-23-35(51(4,5)6)31-44(40)52(43(39)30-34,49-21-12-13-28-53-49)36-15-14-16-38(29-36)56-45-18-9-8-17-41(45)42-27-24-37(32-48(42)56)55-33-54(7)46-19-10-11-20-47(46)55/h8-32H,33H2,1-7H3
InChIKeyJCZKTUYBUACWNB-UHFFFAOYSA-N
XLogP12.68
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
CID 140716409
9-[4-tert-butyl-6-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-2-pyridinyl]carbazole
CID 155614495
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848392
9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
CID 140715673
5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile
CID 169288908
9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 162263550
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172545856
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole?
The IUPAC name of 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole (CID 140715589) is 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole.
What is the SMILES notation for 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole?
The canonical SMILES for 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole is CN1CN(c2ccc3c4ccccc4n(-c4cccc(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)c4)c3c2)c2ccccc21.
What is the InChIKey of 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole?
The InChIKey is JCZKTUYBUACWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4/c1-50(2,3)34-22-25-39-40-26-23-35(51(4,5)6)31-44(40)52(43(39)30-34,49-21-12-13-28-53-49)36-15-14-16-38(29-36)56-45-18-9-8-17-41(45)42-27-24-37(32-48(42)56)55-33-54(7)46-19-10-11-20-47(46)55/h8-32H,33H2,1-7H3.
What are the key properties of 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole?
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole has a molecular weight of 728.98 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole is sourced from PubChem (CID 140715589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).