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)-2-(4-methylphenyl)carbazole

C37H23NO2 — CID 146647660

IUPAC9-(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)-2-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3c2)cc1
InChIInChI=1S/C37H23NO2/c1-22-10-12-23(13-11-22)24-14-16-27-26-6-2-4-8-31(26)38(32(27)20-24)25-15-18-34-30(21-25)28-17-19-35-36(37(28)40-34)29-7-3-5-9-33(29)39-35/h2-21H,1H3
InChIKeyAZOJIZLUUZZEKL-UHFFFAOYSA-N
MW513.60 g/mol
LogP10.56
Rot. Bonds2

About 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)-2-(4-methylphenyl)carbazole

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)-2-(4-methylphenyl)carbazole (PubChem CID 146647660) has the molecular formula C37H23NO2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 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)-2-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-(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)-2-(4-methylphenyl)carbazole
PubChem CID146647660
Molecular FormulaC37H23NO2
Molecular Weight513.60 g/mol
Exact Mass513.17
IUPAC Name9-(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)-2-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3c2)cc1
InChIInChI=1S/C37H23NO2/c1-22-10-12-23(13-11-22)24-14-16-27-26-6-2-4-8-31(26)38(32(27)20-24)25-15-18-34-30(21-25)28-17-19-35-36(37(28)40-34)29-7-3-5-9-33(29)39-35/h2-21H,1H3
InChIKeyAZOJIZLUUZZEKL-UHFFFAOYSA-N
XLogP10.56
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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)-2-(4-methylphenyl)carbazole with MolForge

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Related Compounds

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
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
CID 146647922
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(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)-9-phenylcarbazole
CID 142487806
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-(5-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147021

Frequently Asked Questions

What is the IUPAC name of 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)-2-(4-methylphenyl)carbazole?
The IUPAC name of 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)-2-(4-methylphenyl)carbazole (CID 146647660) is 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)-2-(4-methylphenyl)carbazole.
What is the SMILES notation for 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)-2-(4-methylphenyl)carbazole?
The canonical SMILES for 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)-2-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(ccc7oc8ccccc8c76)c5c4)c3c2)cc1.
What is the InChIKey of 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)-2-(4-methylphenyl)carbazole?
The InChIKey is AZOJIZLUUZZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO2/c1-22-10-12-23(13-11-22)24-14-16-27-26-6-2-4-8-31(26)38(32(27)20-24)25-15-18-34-30(21-25)28-17-19-35-36(37(28)40-34)29-7-3-5-9-33(29)39-35/h2-21H,1H3.
What are the key properties of 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)-2-(4-methylphenyl)carbazole?
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)-2-(4-methylphenyl)carbazole has a molecular weight of 513.60 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-2-(4-methylphenyl)carbazole is sourced from PubChem (CID 146647660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).