3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole

C54H38N4 — CID 138539188

IUPAC3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n4c(-c5ccccc5)c(-c5ccccc5)nc34)cccc21
InChIInChI=1S/C54H38N4/c1-54(2)43-25-14-12-24-41(43)50-44(54)26-16-28-48(50)57-47-32-30-38(37-29-31-46-42(33-37)40-23-13-15-27-45(40)56(46)39-21-10-5-11-22-39)34-49(47)58-52(36-19-8-4-9-20-36)51(55-53(57)58)35-17-6-3-7-18-35/h3-34H,1-2H3
InChIKeyJICILCWRLICIIJ-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.68
Rot. Bonds5

About 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole

3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole (PubChem CID 138539188) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
PubChem CID138539188
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n4c(-c5ccccc5)c(-c5ccccc5)nc34)cccc21
InChIInChI=1S/C54H38N4/c1-54(2)43-25-14-12-24-41(43)50-44(54)26-16-28-48(50)57-47-32-30-38(37-29-31-46-42(33-37)40-23-13-15-27-45(40)56(46)39-21-10-5-11-22-39)34-49(47)58-52(36-19-8-4-9-20-36)51(55-53(57)58)35-17-6-3-7-18-35/h3-34H,1-2H3
InChIKeyJICILCWRLICIIJ-UHFFFAOYSA-N
XLogP13.68
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.68
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-[2-(9,9-dimethylfluoren-2-yl)-4-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
CID 138539212
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118487722
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 164589147
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
CID 145327729

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole (CID 138539188) is 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n4c(-c5ccccc5)c(-c5ccccc5)nc34)cccc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole?
The InChIKey is JICILCWRLICIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-54(2)43-25-14-12-24-41(43)50-44(54)26-16-28-48(50)57-47-32-30-38(37-29-31-46-42(33-37)40-23-13-15-27-45(40)56(46)39-21-10-5-11-22-39)34-49(47)58-52(36-19-8-4-9-20-36)51(55-53(57)58)35-17-6-3-7-18-35/h3-34H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole?
3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole has a molecular weight of 742.93 g/mol, XLogP of 13.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-4-yl)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole is sourced from PubChem (CID 138539188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).