9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole

C54H32N2OS — CID 90348739

IUPAC9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H
InChIKeyOMYALYZNTYSNKE-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole

9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole (PubChem CID 90348739) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
PubChem CID90348739
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H
InChIKeyOMYALYZNTYSNKE-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 68230340
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline
CID 90321257
N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine
CID 118371198
N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-amine
CID 118371202
7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine
CID 121325424
11-[6-(2,3,5,6-Tetrafluorophenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 122435450
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
N-[4-[(3Z)-4-[3-methyl-1-[6-(trifluoromethyl)dibenzofuran-4-yl]indol-2-yl]buta-1,3-dien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129061436
12-[9-(2-Fluorodibenzofuran-4-yl)-6-phenylcarbazol-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 129294405
3-[4-[2-(4-Fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-3-yl]phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 132080931
21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232976

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The IUPAC name of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole (CID 90348739) is 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The InChIKey is OMYALYZNTYSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H.
What are the key properties of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 90348739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).