8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole

C44H34N2O2 — CID 165168898

IUPAC8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole
SMILESc1ccc(N2C3CC(c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)CCC3C3c4ccccc4OC32)cc1
InChIInChI=1S/C44H34N2O2/c1-2-10-29(11-3-1)46-39-24-27(19-22-35(39)43-36-14-6-9-17-40(36)48-44(43)46)28-18-21-33-34-23-20-30(26-42(34)47-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-18,20-21,23,25-27,35,39,43-44H,19,22,24H2
InChIKeyJEESNMDGRKHZJH-UHFFFAOYSA-N
MW622.77 g/mol
LogP10.96
Rot. Bonds3

About 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole

8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole (PubChem CID 165168898) has the molecular formula C44H34N2O2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole
PubChem CID165168898
Molecular FormulaC44H34N2O2
Molecular Weight622.77 g/mol
Exact Mass622.26
IUPAC Name8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole
SMILESc1ccc(N2C3CC(c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)CCC3C3c4ccccc4OC32)cc1
InChIInChI=1S/C44H34N2O2/c1-2-10-29(11-3-1)46-39-24-27(19-22-35(39)43-36-14-6-9-17-40(36)48-44(43)46)28-18-21-33-34-23-20-30(26-42(34)47-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-18,20-21,23,25-27,35,39,43-44H,19,22,24H2
InChIKeyJEESNMDGRKHZJH-UHFFFAOYSA-N
XLogP10.96
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole with MolForge

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Related Compounds

8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole;8-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167645171
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490

Frequently Asked Questions

What is the IUPAC name of 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole?
The IUPAC name of 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole (CID 165168898) is 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole is c1ccc(N2C3CC(c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)CCC3C3c4ccccc4OC32)cc1.
What is the InChIKey of 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole?
The InChIKey is JEESNMDGRKHZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O2/c1-2-10-29(11-3-1)46-39-24-27(19-22-35(39)43-36-14-6-9-17-40(36)48-44(43)46)28-18-21-33-34-23-20-30(26-42(34)47-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-18,20-21,23,25-27,35,39,43-44H,19,22,24H2.
What are the key properties of 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole?
8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole has a molecular weight of 622.77 g/mol, XLogP of 10.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).