N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine

C187H124N8O3S — CID 165069906

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2c3ccccc3cc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C58H36N2O2.C46H30N2O.C43H32N2.C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-34(15-4-1)47(36-26-23-31(24-27-36)32-25-28-39-38-19-10-12-22-43(38)49-44(39)30-32)46-37-18-8-7-13-33(37)29-42-45(46)40-20-9-11-21-41(40)48(42)35-16-5-2-6-17-35;1-43(2)38-21-11-9-19-33(38)34-25-24-32(27-39(34)43)44(30-15-5-3-6-16-30)41-23-13-14-29-26-42-37(28-36(29)41)35-20-10-12-22-40(35)45(42)31-17-7-4-8-18-31;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;1-30H;3-28H,1-2H3;1-26H
InChIKeySOUFZJZHGKKFOZ-UHFFFAOYSA-N
MW2563.17 g/mol
LogP53.00
Rot. Bonds19

About N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine (PubChem CID 165069906) has the molecular formula C187H124N8O3S and a molecular weight of 2563.17 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine
PubChem CID165069906
Molecular FormulaC187H124N8O3S
Molecular Weight2563.17 g/mol
Exact Mass2560.95
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2c3ccccc3cc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C58H36N2O2.C46H30N2O.C43H32N2.C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-34(15-4-1)47(36-26-23-31(24-27-36)32-25-28-39-38-19-10-12-22-43(38)49-44(39)30-32)46-37-18-8-7-13-33(37)29-42-45(46)40-20-9-11-21-41(40)48(42)35-16-5-2-6-17-35;1-43(2)38-21-11-9-19-33(38)34-25-24-32(27-39(34)43)44(30-15-5-3-6-16-30)41-23-13-14-29-26-42-37(28-36(29)41)35-20-10-12-22-40(35)45(42)31-17-7-4-8-18-31;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;1-30H;3-28H,1-2H3;1-26H
InChIKeySOUFZJZHGKKFOZ-UHFFFAOYSA-N
XLogP53.00
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.17
LogP ≤ 553.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine (CID 165069906) is N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2c3ccccc3cc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine?
The InChIKey is SOUFZJZHGKKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2.C46H30N2O.C43H32N2.C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-34(15-4-1)47(36-26-23-31(24-27-36)32-25-28-39-38-19-10-12-22-43(38)49-44(39)30-32)46-37-18-8-7-13-33(37)29-42-45(46)40-20-9-11-21-41(40)48(42)35-16-5-2-6-17-35;1-43(2)38-21-11-9-19-33(38)34-25-24-32(27-39(34)43)44(30-15-5-3-6-16-30)41-23-13-14-29-26-42-37(28-36(29)41)35-20-10-12-22-40(35)45(42)31-17-7-4-8-18-31;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;1-30H;3-28H,1-2H3;1-26H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine has a molecular weight of 2563.17 g/mol, XLogP of 53.00, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine is sourced from PubChem (CID 165069906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).