9-(18-naphthalen-2-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-8-yl)carbazole

C40H23NO2 — CID 59147236

IUPAC9-(18-naphthalen-2-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-8-yl)carbazole
SMILESc1ccc2cc(-c3cccc4c3oc3cc5c(cc34)oc3c(-n4c6ccccc6c6ccccc64)cccc35)ccc2c1
InChIInChI=1S/C40H23NO2/c1-2-10-25-21-26(20-19-24(25)9-1)27-13-7-14-30-32-22-38-33(23-37(32)42-39(27)30)31-15-8-18-36(40(31)43-38)41-34-16-5-3-11-28(34)29-12-4-6-17-35(29)41/h1-23H
InChIKeyXAYYBKYYKCNRRE-UHFFFAOYSA-N
MW549.63 g/mol
LogP11.40
Rot. Bonds2

About 9-(18-naphthalen-2-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-8-yl)carbazole

9-(18-naphthalen-2-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-8-yl)carbazole (PubChem CID 59147236) has the molecular formula C40H23NO2 and a molecular weight of 549.63 g/mol. Its IUPAC name is 9-(18-naphthalen-2-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-8-yl)carbazole.

Molecular Properties

Compound Name9-(18-naphthalen-2-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-8-yl)carbazole
PubChem CID59147236
Molecular FormulaC40H23NO2
Molecular Weight549.63 g/mol
Exact Mass549.17
IUPAC Name9-(18-naphthalen-2-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-8-yl)carbazole
SMILESc1ccc2cc(-c3cccc4c3oc3cc5c(cc34)oc3c(-n4c6ccccc6c6ccccc64)cccc35)ccc2c1
InChIInChI=1S/C40H23NO2/c1-2-10-25-21-26(20-19-24(25)9-1)27-13-7-14-30-32-22-38-33(23-37(32)42-39(27)30)31-15-8-18-36(40(31)43-38)41-34-16-5-3-11-28(34)29-12-4-6-17-35(29)41/h1-23H
InChIKeyXAYYBKYYKCNRRE-UHFFFAOYSA-N
XLogP11.40
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(18-naphthalen-2-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-8-yl)carbazole with MolForge

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Related Compounds

9-[18-(18-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-8-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-8-yl]carbazole
CID 67952828
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
CID 146335839
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
CID 167032824
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;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
CID 163485111
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-[9-(7-dibenzofuran-2-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 157245653
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985

Frequently Asked Questions

What is the IUPAC name of 9-(18-naphthalen-2-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-8-yl)carbazole?
The IUPAC name of 9-(18-naphthalen-2-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-8-yl)carbazole (CID 59147236) is 9-(18-naphthalen-2-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-8-yl)carbazole.
What is the SMILES notation for 9-(18-naphthalen-2-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-8-yl)carbazole?
The canonical SMILES for 9-(18-naphthalen-2-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-8-yl)carbazole is c1ccc2cc(-c3cccc4c3oc3cc5c(cc34)oc3c(-n4c6ccccc6c6ccccc64)cccc35)ccc2c1.
What is the InChIKey of 9-(18-naphthalen-2-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-8-yl)carbazole?
The InChIKey is XAYYBKYYKCNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO2/c1-2-10-25-21-26(20-19-24(25)9-1)27-13-7-14-30-32-22-38-33(23-37(32)42-39(27)30)31-15-8-18-36(40(31)43-38)41-34-16-5-3-11-28(34)29-12-4-6-17-35(29)41/h1-23H.
What are the key properties of 9-(18-naphthalen-2-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-8-yl)carbazole?
9-(18-naphthalen-2-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-8-yl)carbazole has a molecular weight of 549.63 g/mol, XLogP of 11.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-naphthalen-2-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-8-yl)carbazole is sourced from PubChem (CID 59147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).