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

C152H94N6O2S — CID 165110664

IUPAC3-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
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3cc(-c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H32N2O.C52H32N2S.C48H30N2O/c1-2-13-38(14-3-1)53-48-26-22-35(30-44(48)45-31-36(23-27-49(45)53)37-21-25-42-41-17-7-9-20-51(41)55-52(42)32-37)34-24-28-50-43(29-34)40-16-6-8-18-47(40)54(50)46-19-10-12-33-11-4-5-15-39(33)46;1-2-14-37(15-3-1)53-47-27-24-35(31-43(47)44-32-36(26-29-48(44)53)39-19-11-23-51-52(39)41-18-7-9-22-50(41)55-51)34-25-28-49-42(30-34)40-17-6-8-20-46(40)54(49)45-21-10-13-33-12-4-5-16-38(33)45;1-3-12-34(13-4-1)49-43-20-9-7-16-37(43)40-28-31(22-25-44(40)49)32-23-26-45-41(29-32)42-30-33(24-27-46(42)50(45)35-14-5-2-6-15-35)36-18-11-19-39-38-17-8-10-21-47(38)51-48(36)39/h2*1-32H;1-30H
InChIKeyZWUWEIZNFIKTGW-UHFFFAOYSA-N
MW2068.53 g/mol
LogP42.12
Rot. Bonds12

About 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

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 (PubChem CID 165110664) has the molecular formula C152H94N6O2S and a molecular weight of 2068.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID165110664
Molecular FormulaC152H94N6O2S
Molecular Weight2068.53 g/mol
Exact Mass2066.72
IUPAC Name3-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
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3cc(-c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H32N2O.C52H32N2S.C48H30N2O/c1-2-13-38(14-3-1)53-48-26-22-35(30-44(48)45-31-36(23-27-49(45)53)37-21-25-42-41-17-7-9-20-51(41)55-52(42)32-37)34-24-28-50-43(29-34)40-16-6-8-18-47(40)54(50)46-19-10-12-33-11-4-5-15-39(33)46;1-2-14-37(15-3-1)53-47-27-24-35(31-43(47)44-32-36(26-29-48(44)53)39-19-11-23-51-52(39)41-18-7-9-22-50(41)55-51)34-25-28-49-42(30-34)40-17-6-8-20-46(40)54(49)45-21-10-13-33-12-4-5-16-38(33)45;1-3-12-34(13-4-1)49-43-20-9-7-16-37(43)40-28-31(22-25-44(40)49)32-23-26-45-41(29-32)42-30-33(24-27-46(42)50(45)35-14-5-2-6-15-35)36-18-11-19-39-38-17-8-10-21-47(38)51-48(36)39/h2*1-32H;1-30H
InChIKeyZWUWEIZNFIKTGW-UHFFFAOYSA-N
XLogP42.12
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002068.53
LogP ≤ 542.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
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-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
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
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
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 168767904
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3cc(-c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is ZWUWEIZNFIKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O.C52H32N2S.C48H30N2O/c1-2-13-38(14-3-1)53-48-26-22-35(30-44(48)45-31-36(23-27-49(45)53)37-21-25-42-41-17-7-9-20-51(41)55-52(42)32-37)34-24-28-50-43(29-34)40-16-6-8-18-47(40)54(50)46-19-10-12-33-11-4-5-15-39(33)46;1-2-14-37(15-3-1)53-47-27-24-35(31-43(47)44-32-36(26-29-48(44)53)39-19-11-23-51-52(39)41-18-7-9-22-50(41)55-51)34-25-28-49-42(30-34)40-17-6-8-20-46(40)54(49)45-21-10-13-33-12-4-5-16-38(33)45;1-3-12-34(13-4-1)49-43-20-9-7-16-37(43)40-28-31(22-25-44(40)49)32-23-26-45-41(29-32)42-30-33(24-27-46(42)50(45)35-14-5-2-6-15-35)36-18-11-19-39-38-17-8-10-21-47(38)51-48(36)39/h2*1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2068.53 g/mol, XLogP of 42.12, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165110664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).