3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole

C80H50N2OS — CID 159777371

IUPAC3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)cccc2c1.c1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)ccc2c1
InChIInChI=1S/C40H25NO.C40H25NS/c1-2-10-31-26(8-1)9-7-13-32(31)27-16-20-30(21-17-27)41-37-14-5-3-11-33(37)35-24-28(18-22-38(35)41)29-19-23-40-36(25-29)34-12-4-6-15-39(34)42-40;1-2-8-28-23-29(14-13-26(28)7-1)27-15-19-32(20-16-27)41-37-11-5-3-9-33(37)35-24-30(17-21-38(35)41)31-18-22-40-36(25-31)34-10-4-6-12-39(34)42-40/h2*1-25H
InChIKeyNGXMTXIJPIAYHU-UHFFFAOYSA-N
MW1087.36 g/mol
LogP22.81
Rot. Bonds6

About 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole

3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole (PubChem CID 159777371) has the molecular formula C80H50N2OS and a molecular weight of 1087.36 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
PubChem CID159777371
Molecular FormulaC80H50N2OS
Molecular Weight1087.36 g/mol
Exact Mass1086.36
IUPAC Name3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)cccc2c1.c1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)ccc2c1
InChIInChI=1S/C40H25NO.C40H25NS/c1-2-10-31-26(8-1)9-7-13-32(31)27-16-20-30(21-17-27)41-37-14-5-3-11-33(37)35-24-28(18-22-38(35)41)29-19-23-40-36(25-29)34-12-4-6-15-39(34)42-40;1-2-8-28-23-29(14-13-26(28)7-1)27-15-19-32(20-16-27)41-37-11-5-3-9-33(37)35-24-30(17-21-38(35)41)31-18-22-40-36(25-31)34-10-4-6-12-39(34)42-40/h2*1-25H
InChIKeyNGXMTXIJPIAYHU-UHFFFAOYSA-N
XLogP22.81
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.36
LogP ≤ 522.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909
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-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole;3-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene
CID 161110671
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
12-[4-(4-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-2-pyridinyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[6-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 162135148
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-15-dibenzothiophen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-dibenzofuran-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;bis(15-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene)
CID 162127343

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole (CID 159777371) is 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)cccc2c1.c1ccc2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)ccc2c1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole?
The InChIKey is NGXMTXIJPIAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO.C40H25NS/c1-2-10-31-26(8-1)9-7-13-32(31)27-16-20-30(21-17-27)41-37-14-5-3-11-33(37)35-24-28(18-22-38(35)41)29-19-23-40-36(25-29)34-12-4-6-15-39(34)42-40;1-2-8-28-23-29(14-13-26(28)7-1)27-15-19-32(20-16-27)41-37-11-5-3-9-33(37)35-24-30(17-21-38(35)41)31-18-22-40-36(25-31)34-10-4-6-12-39(34)42-40/h2*1-25H.
What are the key properties of 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole?
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole has a molecular weight of 1087.36 g/mol, XLogP of 22.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole is sourced from PubChem (CID 159777371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).