11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole

C57H38N4 — CID 118637348

IUPAC11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)c5ccccc5c43)cc21
InChIInChI=1S/C57H38N4/c1-57(2)48-24-12-8-19-39(48)40-30-29-37(33-49(40)57)60-51-26-14-11-21-42(51)47-34-45(38-18-6-7-22-43(38)55(47)60)36-28-31-53-46(32-36)41-20-10-15-27-52(41)61(53)56-58-50-25-13-9-23-44(50)54(59-56)35-16-4-3-5-17-35/h3-34H,1-2H3
InChIKeyQFHUOMFYSKFVJJ-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.62
Rot. Bonds4

About 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole

11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole (PubChem CID 118637348) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
PubChem CID118637348
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)c5ccccc5c43)cc21
InChIInChI=1S/C57H38N4/c1-57(2)48-24-12-8-19-39(48)40-30-29-37(33-49(40)57)60-51-26-14-11-21-42(51)47-34-45(38-18-6-7-22-43(38)55(47)60)36-28-31-53-46(32-36)41-20-10-15-27-52(41)61(53)56-58-50-25-13-9-23-44(50)54(59-56)35-16-4-3-5-17-35/h3-34H,1-2H3
InChIKeyQFHUOMFYSKFVJJ-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
5-[11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-[11-(4-naphthalen-1-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-(11-phenylbenzo[a]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 159898026
19-(4,6-diphenylquinazolin-2-yl)-5,5-dimethyl-19-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene
CID 134337941
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062762

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The IUPAC name of 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole (CID 118637348) is 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole.
What is the SMILES notation for 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The canonical SMILES for 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)c5ccccc5c43)cc21.
What is the InChIKey of 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The InChIKey is QFHUOMFYSKFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-57(2)48-24-12-8-19-39(48)40-30-29-37(33-49(40)57)60-51-26-14-11-21-42(51)47-34-45(38-18-6-7-22-43(38)55(47)60)36-28-31-53-46(32-36)41-20-10-15-27-52(41)61(53)56-58-50-25-13-9-23-44(50)54(59-56)35-16-4-3-5-17-35/h3-34H,1-2H3.
What are the key properties of 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole?
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole has a molecular weight of 778.96 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole is sourced from PubChem (CID 118637348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).