6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole

C50H36N2 — CID 145327729

IUPAC6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc3n4-c3ccccc3)cccc21
InChIInChI=1S/C50H36N2/c1-50(2)43-23-13-12-21-41(43)49-39(22-14-24-44(49)50)35-26-28-47-42(29-35)40-27-25-36(32-48(40)52(47)38-19-10-5-11-20-38)46-31-37(33-15-6-3-7-16-33)30-45(51-46)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyMLURAWIJVZXOFL-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.15
Rot. Bonds5

About 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole

6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole (PubChem CID 145327729) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
PubChem CID145327729
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc3n4-c3ccccc3)cccc21
InChIInChI=1S/C50H36N2/c1-50(2)43-23-13-12-21-41(43)49-39(22-14-24-44(49)50)35-26-28-47-42(29-35)40-27-25-36(32-48(40)52(47)38-19-10-5-11-20-38)46-31-37(33-15-6-3-7-16-33)30-45(51-46)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyMLURAWIJVZXOFL-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

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176793551
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole (CID 145327729) is 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc3n4-c3ccccc3)cccc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole?
The InChIKey is MLURAWIJVZXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-50(2)43-23-13-12-21-41(43)49-39(22-14-24-44(49)50)35-26-28-47-42(29-35)40-27-25-36(32-48(40)52(47)38-19-10-5-11-20-38)46-31-37(33-15-6-3-7-16-33)30-45(51-46)34-17-8-4-9-18-34/h3-32H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole?
6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole 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 6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 145327729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).