2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole

C50H36N2 — CID 129312221

IUPAC2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)ccn3)cc21
InChIInChI=1S/C50H36N2/c1-50(2)45-19-11-9-17-41(45)42-23-22-37(30-46(42)50)47-31-36(25-26-51-47)35-21-24-44-43-18-10-12-20-48(43)52(49(44)32-35)40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34/h3-32H,1-2H3
InChIKeyKNDODCMVGKFXDJ-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.15
Rot. Bonds5

About 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole

2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 129312221) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole
PubChem CID129312221
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)ccn3)cc21
InChIInChI=1S/C50H36N2/c1-50(2)45-19-11-9-17-41(45)42-23-22-37(30-46(42)50)47-31-36(25-26-51-47)35-21-24-44-43-18-10-12-20-48(43)52(49(44)32-35)40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34/h3-32H,1-2H3
InChIKeyKNDODCMVGKFXDJ-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;9-(4-naphthalen-1-ylphenyl)-2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]carbazole
CID 161262877
9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
CID 67678424
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[3-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 159181801
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole (CID 129312221) is 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)ccn3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is KNDODCMVGKFXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-50(2)45-19-11-9-17-41(45)42-23-22-37(30-46(42)50)47-31-36(25-26-51-47)35-21-24-44-43-18-10-12-20-48(43)52(49(44)32-35)40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34/h3-32H,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole?
2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 664.85 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 129312221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).