3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole

C72H42N2O2S — CID 58099625

IUPAC3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccc(-c5ccc6sc7c(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C72H42N2O2S/c1-3-15-43(16-4-1)49-40-60-58-36-44(28-32-69(58)76-71(60)66(42-49)74-63-24-12-7-19-51(63)52-20-8-13-25-64(52)74)45-30-34-70-59(37-45)61-41-48(39-55(72(61)77-70)47-29-33-68-57(38-47)54-22-10-14-26-67(54)75-68)46-27-31-65-56(35-46)53-21-9-11-23-62(53)73(65)50-17-5-2-6-18-50/h1-42H
InChIKeyPGQXPUCEJZMMJD-UHFFFAOYSA-N
MW999.21 g/mol
LogP20.72
Rot. Bonds6

About 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole

3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 58099625) has the molecular formula C72H42N2O2S and a molecular weight of 999.21 g/mol. Its IUPAC name is 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID58099625
Molecular FormulaC72H42N2O2S
Molecular Weight999.21 g/mol
Exact Mass998.30
IUPAC Name3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccc(-c5ccc6sc7c(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C72H42N2O2S/c1-3-15-43(16-4-1)49-40-60-58-36-44(28-32-69(58)76-71(60)66(42-49)74-63-24-12-7-19-51(63)52-20-8-13-25-64(52)74)45-30-34-70-59(37-45)61-41-48(39-55(72(61)77-70)47-29-33-68-57(38-47)54-22-10-14-26-67(54)75-68)46-27-31-65-56(35-46)53-21-9-11-23-62(53)73(65)50-17-5-2-6-18-50/h1-42H
InChIKeyPGQXPUCEJZMMJD-UHFFFAOYSA-N
XLogP20.72
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.21
LogP ≤ 520.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole (CID 58099625) is 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccc(-c5ccc6sc7c(-c8ccc9oc%10ccccc%10c9c8)cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is PGQXPUCEJZMMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N2O2S/c1-3-15-43(16-4-1)49-40-60-58-36-44(28-32-69(58)76-71(60)66(42-49)74-63-24-12-7-19-51(63)52-20-8-13-25-64(52)74)45-30-34-70-59(37-45)61-41-48(39-55(72(61)77-70)47-29-33-68-57(38-47)54-22-10-14-26-67(54)75-68)46-27-31-65-56(35-46)53-21-9-11-23-62(53)73(65)50-17-5-2-6-18-50/h1-42H.
What are the key properties of 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole?
3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 999.21 g/mol, XLogP of 20.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 58099625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).