6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine

C159H101N7O3S — CID 157115986

IUPAC6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c5cc(-c6ccc7oc8ccccc8c7c6)ccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2cccnc2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C60H38N2OS.C50H32N2O.C49H31N3O/c1-4-15-39(16-5-1)43-33-44(40-17-6-2-7-18-40)35-47(34-43)61(45-19-8-3-9-20-45)46-29-30-48-52-36-41(42-28-32-58-53(37-42)49-21-10-12-25-57(49)63-58)27-31-54(52)62(56(48)38-46)55-24-14-23-51-50-22-11-13-26-59(50)64-60(51)55;1-3-12-37(13-4-1)51(39-24-21-34-20-19-33-11-7-8-16-41(33)44(34)31-39)40-25-26-42-45-29-35(22-27-47(45)52(48(42)32-40)38-14-5-2-6-15-38)36-23-28-50-46(30-36)43-17-9-10-18-49(43)53-50;1-2-10-36(11-3-1)51(39-12-8-26-50-31-39)38-22-23-41-44-27-34(35-20-25-49-45(28-35)42-14-6-7-15-48(42)53-49)19-24-46(44)52(47(41)30-38)37-21-18-33-17-16-32-9-4-5-13-40(32)43(33)29-37/h1-38H;1-32H;1-31H
InChIKeyAHKIGRUHVQTUNA-UHFFFAOYSA-N
MW2189.67 g/mol
LogP45.17
Rot. Bonds17

About 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine

6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine (PubChem CID 157115986) has the molecular formula C159H101N7O3S and a molecular weight of 2189.67 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine
PubChem CID157115986
Molecular FormulaC159H101N7O3S
Molecular Weight2189.67 g/mol
Exact Mass2187.77
IUPAC Name6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c5cc(-c6ccc7oc8ccccc8c7c6)ccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2cccnc2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C60H38N2OS.C50H32N2O.C49H31N3O/c1-4-15-39(16-5-1)43-33-44(40-17-6-2-7-18-40)35-47(34-43)61(45-19-8-3-9-20-45)46-29-30-48-52-36-41(42-28-32-58-53(37-42)49-21-10-12-25-57(49)63-58)27-31-54(52)62(56(48)38-46)55-24-14-23-51-50-22-11-13-26-59(50)64-60(51)55;1-3-12-37(13-4-1)51(39-24-21-34-20-19-33-11-7-8-16-41(33)44(34)31-39)40-25-26-42-45-29-35(22-27-47(45)52(48(42)32-40)38-14-5-2-6-15-38)36-23-28-50-46(30-36)43-17-9-10-18-49(43)53-50;1-2-10-36(11-3-1)51(39-12-8-26-50-31-39)38-22-23-41-44-27-34(35-20-25-49-45(28-35)42-14-6-7-15-48(42)53-49)19-24-46(44)52(47(41)30-38)37-21-18-33-17-16-32-9-4-5-13-40(32)43(33)29-37/h1-38H;1-32H;1-31H
InChIKeyAHKIGRUHVQTUNA-UHFFFAOYSA-N
XLogP45.17
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.67
LogP ≤ 545.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine with MolForge

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Related Compounds

12-N,18-N-bis(6-cyclohexyldibenzothiophen-4-yl)-12-N,18-N-bis(2-fluorophenyl)-15-pyridin-4-yl-10,20-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 149366226
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
9-[3-(4-Dibenzofuran-2-ylphenyl)-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544143
5-[3-(4-Dibenzofuran-2-yl-2,6-dimethylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 57544180
9-[3-[3,5-Di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544200
5-[3-(3-Dibenzofuran-2-yl-5-phenylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[4,3-b]indole
CID 57544249
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine?
The IUPAC name of 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine (CID 157115986) is 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine.
What is the SMILES notation for 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine?
The canonical SMILES for 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c5cc(-c6ccc7oc8ccccc8c7c6)ccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2cccnc2)c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine?
The InChIKey is AHKIGRUHVQTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OS.C50H32N2O.C49H31N3O/c1-4-15-39(16-5-1)43-33-44(40-17-6-2-7-18-40)35-47(34-43)61(45-19-8-3-9-20-45)46-29-30-48-52-36-41(42-28-32-58-53(37-42)49-21-10-12-25-57(49)63-58)27-31-54(52)62(56(48)38-46)55-24-14-23-51-50-22-11-13-26-59(50)64-60(51)55;1-3-12-37(13-4-1)51(39-24-21-34-20-19-33-11-7-8-16-41(33)44(34)31-39)40-25-26-42-45-29-35(22-27-47(45)52(48(42)32-40)38-14-5-2-6-15-38)36-23-28-50-46(30-36)43-17-9-10-18-49(43)53-50;1-2-10-36(11-3-1)51(39-12-8-26-50-31-39)38-22-23-41-44-27-34(35-20-25-49-45(28-35)42-14-6-7-15-48(42)53-49)19-24-46(44)52(47(41)30-38)37-21-18-33-17-16-32-9-4-5-13-40(32)43(33)29-37/h1-38H;1-32H;1-31H.
What are the key properties of 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine?
6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine has a molecular weight of 2189.67 g/mol, XLogP of 45.17, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-9-dibenzothiophen-4-yl-N-(3,5-diphenylphenyl)-N-phenylcarbazol-2-amine;6-dibenzofuran-2-yl-N-phenanthren-3-yl-N,9-diphenylcarbazol-2-amine;6-dibenzofuran-2-yl-9-phenanthren-3-yl-N-phenyl-N-pyridin-3-ylcarbazol-2-amine is sourced from PubChem (CID 157115986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).