3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole

C125H75N7O3S2 — CID 160763363

IUPAC3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole
SMILESCCn1c2ccccc2c2cc(-n3c4ccc(C)cc4c4cc(-c5cccc6sc7ccccc7c56)ccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4sc5ccccc5c34)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C49H27N3O2.C39H28N2S.C37H20N2OS/c1-50-30-18-22-45-39(26-30)38-25-29(17-21-44(38)52(45)31-19-23-47-40(27-31)36-11-4-7-16-46(36)53-47)33-12-8-13-37-41-28-32(20-24-48(41)54-49(33)37)51-42-14-5-2-9-34(42)35-10-3-6-15-43(35)51;1-3-40-33-12-6-4-9-28(33)32-23-26(17-20-34(32)40)41-35-18-15-24(2)21-30(35)31-22-25(16-19-36(31)41)27-11-8-14-38-39(27)29-10-5-7-13-37(29)42-38;1-38-23-14-17-32-29(20-23)28-19-22(25-9-6-12-36-37(25)27-8-3-5-11-35(27)41-36)13-16-31(28)39(32)24-15-18-34-30(21-24)26-7-2-4-10-33(26)40-34/h2-28H;4-23H,3H2,1-2H3;2-21H
InChIKeyRYJCRRZZRJFUSC-UHFFFAOYSA-N
MW1787.15 g/mol
LogP36.42
Rot. Bonds8

About 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole

3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole (PubChem CID 160763363) has the molecular formula C125H75N7O3S2 and a molecular weight of 1787.15 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole
PubChem CID160763363
Molecular FormulaC125H75N7O3S2
Molecular Weight1787.15 g/mol
Exact Mass1785.54
IUPAC Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole
SMILESCCn1c2ccccc2c2cc(-n3c4ccc(C)cc4c4cc(-c5cccc6sc7ccccc7c56)ccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4sc5ccccc5c34)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C49H27N3O2.C39H28N2S.C37H20N2OS/c1-50-30-18-22-45-39(26-30)38-25-29(17-21-44(38)52(45)31-19-23-47-40(27-31)36-11-4-7-16-46(36)53-47)33-12-8-13-37-41-28-32(20-24-48(41)54-49(33)37)51-42-14-5-2-9-34(42)35-10-3-6-15-43(35)51;1-3-40-33-12-6-4-9-28(33)32-23-26(17-20-34(32)40)41-35-18-15-24(2)21-30(35)31-22-25(16-19-36(31)41)27-11-8-14-38-39(27)29-10-5-7-13-37(29)42-38;1-38-23-14-17-32-29(20-23)28-19-22(25-9-6-12-36-37(25)27-8-3-5-11-35(27)41-36)13-16-31(28)39(32)24-15-18-34-30(21-24)26-7-2-4-10-33(26)40-34/h2-28H;4-23H,3H2,1-2H3;2-21H
InChIKeyRYJCRRZZRJFUSC-UHFFFAOYSA-N
XLogP36.42
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001787.15
LogP ≤ 536.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole with MolForge

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Related Compounds

3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 157117885
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
CID 159458201
3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164972458
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
3-dibenzofuran-3-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 165110664
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
3-dibenzofuran-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 164972268
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole (CID 160763363) is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole is CCn1c2ccccc2c2cc(-n3c4ccc(C)cc4c4cc(-c5cccc6sc7ccccc7c56)ccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4sc5ccccc5c34)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole?
The InChIKey is RYJCRRZZRJFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2.C39H28N2S.C37H20N2OS/c1-50-30-18-22-45-39(26-30)38-25-29(17-21-44(38)52(45)31-19-23-47-40(27-31)36-11-4-7-16-46(36)53-47)33-12-8-13-37-41-28-32(20-24-48(41)54-49(33)37)51-42-14-5-2-9-34(42)35-10-3-6-15-43(35)51;1-3-40-33-12-6-4-9-28(33)32-23-26(17-20-34(32)40)41-35-18-15-24(2)21-30(35)31-22-25(16-19-36(31)41)27-11-8-14-38-39(27)29-10-5-7-13-37(29)42-38;1-38-23-14-17-32-29(20-23)28-19-22(25-9-6-12-36-37(25)27-8-3-5-11-35(27)41-36)13-16-31(28)39(32)24-15-18-34-30(21-24)26-7-2-4-10-33(26)40-34/h2-28H;4-23H,3H2,1-2H3;2-21H.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole?
3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole has a molecular weight of 1787.15 g/mol, XLogP of 36.42, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole;9-dibenzofuran-2-yl-3-dibenzothiophen-1-yl-6-isocyanocarbazole;3-dibenzothiophen-1-yl-9-(9-ethylcarbazol-3-yl)-6-methylcarbazole is sourced from PubChem (CID 160763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).