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

C54H32N2OS — CID 90321576

IUPAC3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-8-20-46(37)55(50)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53)31-42(43)34-25-27-38-36-15-4-9-21-47(36)56(49(38)29-34)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48/h1-32H
InChIKeyUPZJLYUKSMVCPP-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

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

3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole (PubChem CID 90321576) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
PubChem CID90321576
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-8-20-46(37)55(50)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53)31-42(43)34-25-27-38-36-15-4-9-21-47(36)56(49(38)29-34)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48/h1-32H
InChIKeyUPZJLYUKSMVCPP-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-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole;9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzofuran-4-yl-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole;9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzothiophen-2-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 157170070
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 90348740
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 158591073
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenylcarbazole;3-(8-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-[3,5-di(dibenzofuran-2-yl)phenyl]-9-phenylcarbazole;molecular fluorine;3-phenyl-9-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-4-yl]carbazole;hydrofluoride
CID 158528143
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-dibenzofuran-4-yl-3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)carbazole;3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenyl]carbazole
CID 164982315
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole (CID 90321576) is 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The InChIKey is UPZJLYUKSMVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-8-20-46(37)55(50)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53)31-42(43)34-25-27-38-36-15-4-9-21-47(36)56(49(38)29-34)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48/h1-32H.
What are the key properties of 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-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 3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole is sourced from PubChem (CID 90321576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).