3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole

C57H38N4 — CID 146375384

IUPAC3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)cc4)c4ccccc4n3)c21
InChIInChI=1S/C57H38N4/c1-57(2)48-22-9-5-16-40(48)44-20-13-21-46(54(44)57)56-58-49-23-10-6-19-45(49)55(59-56)35-26-28-38(29-27-35)60-52-33-37-15-4-3-14-36(37)32-47(52)43-31-30-39(34-53(43)60)61-50-24-11-7-17-41(50)42-18-8-12-25-51(42)61/h3-34H,1-2H3
InChIKeyLYBDUHXQNXXBKZ-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.62
Rot. Bonds4

About 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole

3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole (PubChem CID 146375384) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
PubChem CID146375384
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)cc4)c4ccccc4n3)c21
InChIInChI=1S/C57H38N4/c1-57(2)48-22-9-5-16-40(48)44-20-13-21-46(54(44)57)56-58-49-23-10-6-19-45(49)55(59-56)35-26-28-38(29-27-35)60-52-33-37-15-4-3-14-36(37)32-47(52)43-31-30-39(34-53(43)60)61-50-24-11-7-17-41(50)42-18-8-12-25-51(42)61/h3-34H,1-2H3
InChIKeyLYBDUHXQNXXBKZ-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-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374991
7-benzo[b]carbazol-5-yl-5-[4-(2-dibenzofuran-1-ylquinazolin-4-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[b]carbazol-5-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole;3-benzo[b]carbazol-5-yl-5-[3-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 161108405
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
9-carbazol-9-yl-5-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[4-(4-phenanthren-3-ylquinazolin-2-yl)phenyl]benzo[b]carbazole;9-carbazol-9-yl-5-[5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 158401705
3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146375173
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
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
5-[3-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592234
5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146181776
9-benzo[b]carbazol-5-yl-5-(4-dibenzothiophen-4-ylquinazolin-2-yl)benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9,9-dimethylfluoren-1-yl)quinazolin-2-yl]benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159019157
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole (CID 146375384) is 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)cc4)c4ccccc4n3)c21.
What is the InChIKey of 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole?
The InChIKey is LYBDUHXQNXXBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-57(2)48-22-9-5-16-40(48)44-20-13-21-46(54(44)57)56-58-49-23-10-6-19-45(49)55(59-56)35-26-28-38(29-27-35)60-52-33-37-15-4-3-14-36(37)32-47(52)43-31-30-39(34-53(43)60)61-50-24-11-7-17-41(50)42-18-8-12-25-51(42)61/h3-34H,1-2H3.
What are the key properties of 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole?
3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]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 3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).