11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

C49H29N3O — CID 138661428

IUPAC11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C49H29N3O/c1-2-14-34(15-3-1)51-43-24-22-33(28-39(43)40-26-30-12-4-5-13-31(30)29-45(40)51)32-23-25-44-38(27-32)35-16-7-10-20-42(35)52(44)48-36-17-6-9-19-41(36)50-47-37-18-8-11-21-46(37)53-49(47)48/h1-29H
InChIKeyDYFMHQMTGJTNJG-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.15
Rot. Bonds3

About 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661428) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661428
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C49H29N3O/c1-2-14-34(15-3-1)51-43-24-22-33(28-39(43)40-26-30-12-4-5-13-31(30)29-45(40)51)32-23-25-44-38(27-32)35-16-7-10-20-42(35)52(44)48-36-17-6-9-19-41(36)50-47-37-18-8-11-21-46(37)53-49(47)48/h1-29H
InChIKeyDYFMHQMTGJTNJG-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-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline with MolForge

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Related Compounds

11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138662821
11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661905
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 167348101
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167347572
2-(4-benzo[b]carbazol-5-ylphenyl)-4-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146181682
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661690
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980

Frequently Asked Questions

What is the IUPAC name of 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (CID 138661428) is 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5nc5c4oc4ccccc45)cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is DYFMHQMTGJTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-14-34(15-3-1)51-43-24-22-33(28-39(43)40-26-30-12-4-5-13-31(30)29-45(40)51)32-23-25-44-38(27-32)35-16-7-10-20-42(35)52(44)48-36-17-6-9-19-41(36)50-47-37-18-8-11-21-46(37)53-49(47)48/h1-29H.
What are the key properties of 11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
11-[3-(5-phenylbenzo[b]carbazol-2-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-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).