3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole

C60H34N2O2S — CID 142383745

IUPAC3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccc(-c7ccc8oc9ccc%10c%11ccccc%11oc%10c9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C60H34N2O2S/c1-2-10-39(11-3-1)61-50-15-7-4-12-41(50)45-30-35(18-24-52(45)61)36-19-25-53-46(31-36)42-13-5-8-16-51(42)62(53)40-22-29-58-48(34-40)47-32-38(21-28-57(47)65-58)37-20-26-55-49(33-37)59-56(63-55)27-23-44-43-14-6-9-17-54(43)64-60(44)59/h1-34H
InChIKeyDIKGWIYBOSTVAO-UHFFFAOYSA-N
MW847.01 g/mol
LogP17.38
Rot. Bonds4

About 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 142383745) has the molecular formula C60H34N2O2S and a molecular weight of 847.01 g/mol. Its IUPAC name is 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID142383745
Molecular FormulaC60H34N2O2S
Molecular Weight847.01 g/mol
Exact Mass846.23
IUPAC Name3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccc(-c7ccc8oc9ccc%10c%11ccccc%11oc%10c9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C60H34N2O2S/c1-2-10-39(11-3-1)61-50-15-7-4-12-41(50)45-30-35(18-24-52(45)61)36-19-25-53-46(31-36)42-13-5-8-16-51(42)62(53)40-22-29-58-48(34-40)47-32-38(21-28-57(47)65-58)37-20-26-55-49(33-37)59-56(63-55)27-23-44-43-14-6-9-17-54(43)64-60(44)59/h1-34H
InChIKeyDIKGWIYBOSTVAO-UHFFFAOYSA-N
XLogP17.38
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.01
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Related Compounds

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-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
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
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazole;9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 159133190
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 160890735
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-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-(4-dibenzofuran-2-ylphenyl)carbazole;3,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 160619262
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 158340680

Frequently Asked Questions

What is the IUPAC name of 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 142383745) is 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccc(-c7ccc8oc9ccc%10c%11ccccc%11oc%10c9c8c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is DIKGWIYBOSTVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O2S/c1-2-10-39(11-3-1)61-50-15-7-4-12-41(50)45-30-35(18-24-52(45)61)36-19-25-53-46(31-36)42-13-5-8-16-51(42)62(53)40-22-29-58-48(34-40)47-32-38(21-28-57(47)65-58)37-20-26-55-49(33-37)59-56(63-55)27-23-44-43-14-6-9-17-54(43)64-60(44)59/h1-34H.
What are the key properties of 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 847.01 g/mol, XLogP of 17.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 142383745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).