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

C48H34N4 — CID 138539250

IUPAC3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4n4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)nc34)cccc21
InChIInChI=1S/C48H34N4/c1-48(2)37-22-11-9-21-35(37)44-38(48)23-15-27-43(44)51-41-25-13-14-26-42(41)52-46(45(49-47(51)52)31-16-5-3-6-17-31)32-28-29-40-36(30-32)34-20-10-12-24-39(34)50(40)33-18-7-4-8-19-33/h3-30H,1-2H3
InChIKeySUUXDVUQJICSLC-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.02
Rot. Bonds4

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

3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole (PubChem CID 138539250) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
PubChem CID138539250
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4n4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)nc34)cccc21
InChIInChI=1S/C48H34N4/c1-48(2)37-22-11-9-21-35(37)44-38(48)23-15-27-43(44)51-41-25-13-14-26-42(41)52-46(45(49-47(51)52)31-16-5-3-6-17-31)32-28-29-40-36(30-32)34-20-10-12-24-39(34)50(40)33-18-7-4-8-19-33/h3-30H,1-2H3
InChIKeySUUXDVUQJICSLC-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)-1,2-diphenylimidazo[1,2-a]benzimidazol-7-yl]-9-phenylcarbazole
CID 138539188
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-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole (CID 138539250) is 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-n3c4ccccc4n4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)nc34)cccc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
The InChIKey is SUUXDVUQJICSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)37-22-11-9-21-35(37)44-38(48)23-15-27-43(44)51-41-25-13-14-26-42(41)52-46(45(49-47(51)52)31-16-5-3-6-17-31)32-28-29-40-36(30-32)34-20-10-12-24-39(34)50(40)33-18-7-4-8-19-33/h3-30H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole?
3-[4-(9,9-dimethylfluoren-4-yl)-2-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-[4-(9,9-dimethylfluoren-4-yl)-2-phenylimidazo[1,2-a]benzimidazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 138539250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).