2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

C50H44N2 — CID 140945448

IUPAC2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1)c1ccccn1
InChIInChI=1S/C50H44N2/c1-48(2,3)35-23-26-43-41(30-35)42-31-36(49(4,5)6)24-27-44(42)50(43,47-21-12-13-28-51-47)37-22-25-40-39-19-10-11-20-45(39)52(46(40)32-37)38-18-14-17-34(29-38)33-15-8-7-9-16-33/h7-32H,1-6H3
InChIKeyFJBBHEROXZWEAI-UHFFFAOYSA-N
MW672.92 g/mol
LogP12.80
Rot. Bonds4

About 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 140945448) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
PubChem CID140945448
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1)c1ccccn1
InChIInChI=1S/C50H44N2/c1-48(2,3)35-23-26-43-41(30-35)42-31-36(49(4,5)6)24-27-44(42)50(43,47-21-12-13-28-51-47)37-22-25-40-39-19-10-11-20-45(39)52(46(40)32-37)38-18-14-17-34(29-38)33-15-8-7-9-16-33/h7-32H,1-6H3
InChIKeyFJBBHEROXZWEAI-UHFFFAOYSA-N
XLogP12.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
CID 140716409
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-[3-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-2,3-dihydrofluoren-9-yl]phenyl]-2-(1H-imidazol-2-yl)carbazole
CID 161224625
2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 140715562
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
CID 135176895
9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
CID 140715673
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (CID 140945448) is 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1)c1ccccn1.
What is the InChIKey of 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is FJBBHEROXZWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-48(2,3)35-23-26-43-41(30-35)42-31-36(49(4,5)6)24-27-44(42)50(43,47-21-12-13-28-51-47)37-22-25-40-39-19-10-11-20-45(39)52(46(40)32-37)38-18-14-17-34(29-38)33-15-8-7-9-16-33/h7-32H,1-6H3.
What are the key properties of 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 672.92 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 140945448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).