3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole

C54H38N4 — CID 145327492

IUPAC3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)ccc3n4-c3ccccc3)c21
InChIInChI=1S/C54H38N4/c1-54(2)46-21-7-6-18-42(46)43-20-13-19-41(53(43)54)38-25-27-52-45(32-38)44-31-37(24-26-51(44)58(52)40-16-4-3-5-17-40)35-14-12-15-36(30-35)39-33-49(47-22-8-10-28-55-47)57-50(34-39)48-23-9-11-29-56-48/h3-34H,1-2H3
InChIKeySOKOTJYAGDEYET-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.61
Rot. Bonds6

About 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole

3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole (PubChem CID 145327492) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
PubChem CID145327492
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)ccc3n4-c3ccccc3)c21
InChIInChI=1S/C54H38N4/c1-54(2)46-21-7-6-18-42(46)43-20-13-19-41(53(43)54)38-25-27-52-45(32-38)44-31-37(24-26-51(44)58(52)40-16-4-3-5-17-40)35-14-12-15-36(30-35)39-33-49(47-22-8-10-28-55-47)57-50(34-39)48-23-9-11-29-56-48/h3-34H,1-2H3
InChIKeySOKOTJYAGDEYET-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 145327834
2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine
CID 145327805
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
CID 118014196
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15,15-dimethyl-23-phenyl-7-pyridin-2-yl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene
CID 90270316
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158404712
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
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
5-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158500543
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole (CID 145327492) is 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)ccc3n4-c3ccccc3)c21.
What is the InChIKey of 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole?
The InChIKey is SOKOTJYAGDEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-54(2)46-21-7-6-18-42(46)43-20-13-19-41(53(43)54)38-25-27-52-45(32-38)44-31-37(24-26-51(44)58(52)40-16-4-3-5-17-40)35-14-12-15-36(30-35)39-33-49(47-22-8-10-28-55-47)57-50(34-39)48-23-9-11-29-56-48/h3-34H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole?
3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole has a molecular weight of 742.93 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 145327492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).