9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole

C42H27N3 — CID 66635726

IUPAC9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)=CCC1
InChIInChI=1S/C42H27N3/c1-2-11-27(12-3-1)45-38-20-9-7-15-30(38)36-25-26(21-24-39(36)45)42-43-37-19-8-6-16-35(37)41(44-42)34-23-22-33-29-14-5-4-13-28(29)31-17-10-18-32(34)40(31)33/h2,4-25H,1,3H2
InChIKeyKJZCOBOYARSKBW-UHFFFAOYSA-N
MW573.70 g/mol
LogP11.06
Rot. Bonds3

About 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole

9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole (PubChem CID 66635726) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole
PubChem CID66635726
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)=CCC1
InChIInChI=1S/C42H27N3/c1-2-11-27(12-3-1)45-38-20-9-7-15-30(38)36-25-26(21-24-39(36)45)42-43-37-19-8-6-16-35(37)41(44-42)34-23-22-33-29-14-5-4-13-28(29)31-17-10-18-32(34)40(31)33/h2,4-25H,1,3H2
InChIKeyKJZCOBOYARSKBW-UHFFFAOYSA-N
XLogP11.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-3-yl)-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434517
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
CID 166905213
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325819
3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434535
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
3-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)-9-phenyl-6-(2-phenylquinazolin-4-yl)carbazole
CID 143224463
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole (CID 66635726) is 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole is C1=CC(n2c3ccccc3c3cc(-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole?
The InChIKey is KJZCOBOYARSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-11-27(12-3-1)45-38-20-9-7-15-30(38)36-25-26(21-24-39(36)45)42-43-37-19-8-6-16-35(37)41(44-42)34-23-22-33-29-14-5-4-13-28(29)31-17-10-18-32(34)40(31)33/h2,4-25H,1,3H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole?
9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole has a molecular weight of 573.70 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole is sourced from PubChem (CID 66635726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).