3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole

C36H23NO2 — CID 145223329

IUPAC3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C36H23NO2/c1-2-10-26(11-3-1)37-31-14-6-4-12-27(31)29-22-24(18-20-32(29)37)25-19-21-34-30(23-25)28-13-5-7-15-33(28)38-35-16-8-9-17-36(35)39-34/h1-23H
InChIKeyOEUDCCSPLFDHBM-UHFFFAOYSA-N
MW501.59 g/mol
LogP10.22
Rot. Bonds2

About 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole

3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole (PubChem CID 145223329) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
PubChem CID145223329
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC Name3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C36H23NO2/c1-2-10-26(11-3-1)37-31-14-6-4-12-27(31)29-22-24(18-20-32(29)37)25-19-21-34-30(23-25)28-13-5-7-15-33(28)38-35-16-8-9-17-36(35)39-34/h1-23H
InChIKeyOEUDCCSPLFDHBM-UHFFFAOYSA-N
XLogP10.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288

Frequently Asked Questions

What is the IUPAC name of 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole?
The IUPAC name of 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole (CID 145223329) is 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole?
The InChIKey is OEUDCCSPLFDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c1-2-10-26(11-3-1)37-31-14-6-4-12-27(31)29-22-24(18-20-32(29)37)25-19-21-34-30(23-25)28-13-5-7-15-33(28)38-35-16-8-9-17-36(35)39-34/h1-23H.
What are the key properties of 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole?
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole has a molecular weight of 501.59 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 145223329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).