2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine

C115H83BrN10O2 — CID 158285156

IUPAC2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESBrc1ccc2oc3ccccc3c2c1.C.N[C@@H]1CCCC[C@H]1N.c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)[nH]c1ccc(-n2c3ccccc3c3ccccc32)cc14.c1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12
InChIInChI=1S/C54H32N4O.C42H26N4.C12H7BrO.C6H14N2.CH4/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54;1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-38-34(24-37(33)43-35)32-22-26(18-20-36(32)44-38)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-3-1-2-4-6(5)8;/h1-31,55H;1-24,43-44H;1-7H;5-6H,1-4,7-8H2;1H4/t;;;5-,6-;/m...1./s1
InChIKeyGKRPBQKJSLCAAQ-GUWCEBCKSA-N
MW1716.90 g/mol
LogP30.86
Rot. Bonds5

About 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine

2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 158285156) has the molecular formula C115H83BrN10O2 and a molecular weight of 1716.90 g/mol. Its IUPAC name is 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID158285156
Molecular FormulaC115H83BrN10O2
Molecular Weight1716.90 g/mol
Exact Mass1714.59
IUPAC Name2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESBrc1ccc2oc3ccccc3c2c1.C.N[C@@H]1CCCC[C@H]1N.c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)[nH]c1ccc(-n2c3ccccc3c3ccccc32)cc14.c1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12
InChIInChI=1S/C54H32N4O.C42H26N4.C12H7BrO.C6H14N2.CH4/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54;1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-38-34(24-37(33)43-35)32-22-26(18-20-36(32)44-38)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-3-1-2-4-6(5)8;/h1-31,55H;1-24,43-44H;1-7H;5-6H,1-4,7-8H2;1H4/t;;;5-,6-;/m...1./s1
InChIKeyGKRPBQKJSLCAAQ-GUWCEBCKSA-N
XLogP30.86
TPSA150.34 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001716.90
LogP ≤ 530.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine with MolForge

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Related Compounds

6-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(3,5-dimethylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbenzamide
CID 161596098
6-bromo-1-[2-(1-fluorocarbazol-9-yl)dibenzofuran-3-yl]-9H-carbazole
CID 172102765
3,6-Dibromo-9-[8-(3,6-dibromocarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 57958251
5,11-Di(dibenzofuran-2-yl)indolo[3,2-b]carbazole
CID 57997327
5-(4-Carbazol-9-ylphenyl)-11-dibenzofuran-2-ylindolo[3,2-b]carbazole
CID 57997613
5,18-Di(carbazol-9-yl)-9-dibenzofuran-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 59146928
2,8-di(carbazol-9-yl)-11H-[1]benzofuro[3,2-b]carbazole
CID 59146980
2,10-di(carbazol-9-yl)-5-dibenzofuran-2-yl-7H-indolo[2,3-b]carbazole
CID 59146998
2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole
CID 59147082
2,8-Di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole
CID 59147142
5,18-Di(carbazol-9-yl)-9-dibenzofuran-2-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 59147220
11-Benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole
CID 59147243

Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine (CID 158285156) is 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine is Brc1ccc2oc3ccccc3c2c1.C.N[C@@H]1CCCC[C@H]1N.c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4c(cc3c2c1)[nH]c1ccc(-n2c3ccccc3c3ccccc32)cc14.c1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12.
What is the InChIKey of 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is GKRPBQKJSLCAAQ-GUWCEBCKSA-N. The full InChI is InChI=1S/C54H32N4O.C42H26N4.C12H7BrO.C6H14N2.CH4/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54;1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-38-34(24-37(33)43-35)32-22-26(18-20-36(32)44-38)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-3-1-2-4-6(5)8;/h1-31,55H;1-24,43-44H;1-7H;5-6H,1-4,7-8H2;1H4/t;;;5-,6-;/m...1./s1.
What are the key properties of 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine?
2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 1716.90 g/mol, XLogP of 30.86, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzofuran;2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole;2,8-di(carbazol-9-yl)-5,11-dihydroindolo[3,2-b]carbazole;methane;trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 158285156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).