3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole

C48H34N4 — CID 138539212

IUPAC3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4n(-c5ccccc5)c5ccccc5n4c3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C48H34N4/c1-48(2)39-21-11-9-19-35(39)36-27-25-31(30-40(36)48)45-46(52-44-24-14-13-23-43(44)51(47(52)49-45)34-17-7-4-8-18-34)32-26-28-42-38(29-32)37-20-10-12-22-41(37)50(42)33-15-5-3-6-16-33/h3-30H,1-2H3
InChIKeyLOGKZFKUUOXVIA-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.02
Rot. Bonds4

About 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole

3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole (PubChem CID 138539212) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
PubChem CID138539212
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4n(-c5ccccc5)c5ccccc5n4c3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C48H34N4/c1-48(2)39-21-11-9-19-35(39)36-27-25-31(30-40(36)48)45-46(52-44-24-14-13-23-43(44)51(47(52)49-45)34-17-7-4-8-18-34)32-26-28-42-38(29-32)37-20-10-12-22-41(37)50(42)33-15-5-3-6-16-33/h3-30H,1-2H3
InChIKeyLOGKZFKUUOXVIA-UHFFFAOYSA-N
XLogP12.02
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
CID 138539250
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
CID 138539188
15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310203
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
2-(4-carbazol-9-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 59691230
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 67678505

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole (CID 138539212) is 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3nc4n(-c5ccccc5)c5ccccc5n4c3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The InChIKey is LOGKZFKUUOXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)39-21-11-9-19-35(39)36-27-25-31(30-40(36)48)45-46(52-44-24-14-13-23-43(44)51(47(52)49-45)34-17-7-4-8-18-34)32-26-28-42-38(29-32)37-20-10-12-22-41(37)50(42)33-15-5-3-6-16-33/h3-30H,1-2H3.
What are the key properties of 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole has a molecular weight of 666.83 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 138539212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).