3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole

C180H116N6O2S — CID 163678293

IUPAC3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1-c1ccccc1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3sc3ccccc34)cccc12.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cccc54)c4oc5ccccc5c34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/2C60H38N2O.C60H40N2S/c1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-34-36-56(60-59(46)49-26-10-14-32-57(49)63-60)62-52-29-12-8-24-47(52)50-38-43(33-35-54(50)62)45-27-16-31-55-58(45)48-25-9-13-30-53(48)61(55)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-35-36-55(60-59(46)50-26-10-14-32-57(50)63-60)62-53-30-13-9-25-49(53)58-45(27-16-31-54(58)62)43-33-34-48-47-24-8-12-29-52(47)61(56(48)38-43)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-16-39(17-4-1)40-30-32-42(33-31-40)45-35-37-56(60-58(45)50-23-10-14-29-57(50)63-60)61-53-27-12-9-22-48(53)51-38-43(34-36-55(51)61)46-24-15-25-49-47-21-8-13-28-54(47)62(59(46)49)52-26-11-7-20-44(52)41-18-5-2-6-19-41/h2*1-38H;1-20,22-38,47H,21H2
InChIKeyJIPNPMDAANYSSG-UHFFFAOYSA-N
MW2427.01 g/mol
LogP49.80
Rot. Bonds18

About 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole

3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole (PubChem CID 163678293) has the molecular formula C180H116N6O2S and a molecular weight of 2427.01 g/mol. Its IUPAC name is 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole
PubChem CID163678293
Molecular FormulaC180H116N6O2S
Molecular Weight2427.01 g/mol
Exact Mass2424.89
IUPAC Name3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1-c1ccccc1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3sc3ccccc34)cccc12.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cccc54)c4oc5ccccc5c34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/2C60H38N2O.C60H40N2S/c1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-34-36-56(60-59(46)49-26-10-14-32-57(49)63-60)62-52-29-12-8-24-47(52)50-38-43(33-35-54(50)62)45-27-16-31-55-58(45)48-25-9-13-30-53(48)61(55)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-35-36-55(60-59(46)50-26-10-14-32-57(50)63-60)62-53-30-13-9-25-49(53)58-45(27-16-31-54(58)62)43-33-34-48-47-24-8-12-29-52(47)61(56(48)38-43)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-16-39(17-4-1)40-30-32-42(33-31-40)45-35-37-56(60-58(45)50-23-10-14-29-57(50)63-60)61-53-27-12-9-22-48(53)51-38-43(34-36-55(51)61)46-24-15-25-49-47-21-8-13-28-54(47)62(59(46)49)52-26-11-7-20-44(52)41-18-5-2-6-19-41/h2*1-38H;1-20,22-38,47H,21H2
InChIKeyJIPNPMDAANYSSG-UHFFFAOYSA-N
XLogP49.80
TPSA54.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002427.01
LogP ≤ 549.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole (CID 163678293) is 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole is C1=CCC2C(=C1)N(c1ccccc1-c1ccccc1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3sc3ccccc34)cccc12.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cccc54)c4oc5ccccc5c34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole?
The InChIKey is JIPNPMDAANYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H38N2O.C60H40N2S/c1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-34-36-56(60-59(46)49-26-10-14-32-57(49)63-60)62-52-29-12-8-24-47(52)50-38-43(33-35-54(50)62)45-27-16-31-55-58(45)48-25-9-13-30-53(48)61(55)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-17-39(18-4-1)41-21-15-22-42(37-41)46-35-36-55(60-59(46)50-26-10-14-32-57(50)63-60)62-53-30-13-9-25-49(53)58-45(27-16-31-54(58)62)43-33-34-48-47-24-8-12-29-52(47)61(56(48)38-43)51-28-11-7-23-44(51)40-19-5-2-6-20-40;1-3-16-39(17-4-1)40-30-32-42(33-31-40)45-35-37-56(60-58(45)50-23-10-14-29-57(50)63-60)61-53-27-12-9-22-48(53)51-38-43(34-36-55(51)61)46-24-15-25-49-47-21-8-13-28-54(47)62(59(46)49)52-26-11-7-20-44(52)41-18-5-2-6-19-41/h2*1-38H;1-20,22-38,47H,21H2.
What are the key properties of 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole?
3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole has a molecular weight of 2427.01 g/mol, XLogP of 49.80, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-phenylphenyl)-4b,5-dihydrocarbazol-1-yl]-9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole;3-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).