9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

C37H23NO2 — CID 59147032

IUPAC9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
SMILESc1ccc(Cc2ccc3oc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4c3c2)cc1
InChIInChI=1S/C37H23NO2/c1-2-8-23(9-3-1)20-24-14-16-32-28(21-24)36-34(39-32)18-19-35-37(36)29-22-25(15-17-33(29)40-35)38-30-12-6-4-10-26(30)27-11-5-7-13-31(27)38/h1-19,21-22H,20H2
InChIKeyZUGQBNZILXRQSU-UHFFFAOYSA-N
MW513.60 g/mol
LogP10.17
Rot. Bonds3

About 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (PubChem CID 59147032) has the molecular formula C37H23NO2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.

Molecular Properties

Compound Name9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
PubChem CID59147032
Molecular FormulaC37H23NO2
Molecular Weight513.60 g/mol
Exact Mass513.17
IUPAC Name9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
SMILESc1ccc(Cc2ccc3oc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4c3c2)cc1
InChIInChI=1S/C37H23NO2/c1-2-8-23(9-3-1)20-24-14-16-32-28(21-24)36-34(39-32)18-19-35-37(36)29-22-25(15-17-33(29)40-35)38-30-12-6-4-10-26(30)27-11-5-7-13-31(27)38/h1-19,21-22H,20H2
InChIKeyZUGQBNZILXRQSU-UHFFFAOYSA-N
XLogP10.17
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole with MolForge

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Related Compounds

9-(11,12-dibenzyl-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 59147542
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-[9-(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)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
CID 134420356
(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
CID 59147189
bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium
CID 59147587
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-benzyl-6-(6-benzyl-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 162234095
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl]carbazole
CID 146664716

Frequently Asked Questions

What is the IUPAC name of 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The IUPAC name of 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (CID 59147032) is 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.
What is the SMILES notation for 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The canonical SMILES for 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is c1ccc(Cc2ccc3oc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4c3c2)cc1.
What is the InChIKey of 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The InChIKey is ZUGQBNZILXRQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO2/c1-2-8-23(9-3-1)20-24-14-16-32-28(21-24)36-34(39-32)18-19-35-37(36)29-22-25(15-17-33(29)40-35)38-30-12-6-4-10-26(30)27-11-5-7-13-31(27)38/h1-19,21-22H,20H2.
What are the key properties of 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole has a molecular weight of 513.60 g/mol, XLogP of 10.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is sourced from PubChem (CID 59147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).