11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

C49H29N3O — CID 138662821

IUPAC11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-33(14-3-1)51-43-26-23-32(29-40(43)36-25-22-30-12-4-5-15-34(30)47(36)51)31-24-27-44-39(28-31)35-16-7-10-20-42(35)52(44)48-37-17-6-9-19-41(37)50-46-38-18-8-11-21-45(38)53-49(46)48/h1-29H
InChIKeyKYDNFYQQKLXTGX-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.15
Rot. Bonds3

About 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138662821) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138662821
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-33(14-3-1)51-43-26-23-32(29-40(43)36-25-22-30-12-4-5-15-34(30)47(36)51)31-24-27-44-39(28-31)35-16-7-10-20-42(35)52(44)48-37-17-6-9-19-41(37)50-46-38-18-8-11-21-45(38)53-49(46)48/h1-29H
InChIKeyKYDNFYQQKLXTGX-UHFFFAOYSA-N
XLogP13.15
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline with MolForge

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Related Compounds

11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661428
11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661905
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577962
11-phenyl-8-[9-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]benzo[a]carbazole
CID 134594977
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394

Frequently Asked Questions

What is the IUPAC name of 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (CID 138662821) is 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is KYDNFYQQKLXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-13-33(14-3-1)51-43-26-23-32(29-40(43)36-25-22-30-12-4-5-15-34(30)47(36)51)31-24-27-44-39(28-31)35-16-7-10-20-42(35)52(44)48-37-17-6-9-19-41(37)50-46-38-18-8-11-21-45(38)53-49(46)48/h1-29H.
What are the key properties of 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 675.79 g/mol, XLogP of 13.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138662821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).