9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole

C42H24N2OS — CID 59147172

IUPAC9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5sc43)c2c1
InChIInChI=1S/C42H24N2OS/c1-5-13-35-27(9-1)28-10-2-6-14-36(28)43(35)25-17-21-39-33(23-25)31-19-20-32-34-24-26(18-22-40(34)46-42(32)41(31)45-39)44-37-15-7-3-11-29(37)30-12-4-8-16-38(30)44/h1-24H
InChIKeyRMPROJXUZXLCPO-UHFFFAOYSA-N
MW604.73 g/mol
LogP12.15
Rot. Bonds2

About 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole

9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole (PubChem CID 59147172) has the molecular formula C42H24N2OS and a molecular weight of 604.73 g/mol. Its IUPAC name is 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole.

Molecular Properties

Compound Name9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
PubChem CID59147172
Molecular FormulaC42H24N2OS
Molecular Weight604.73 g/mol
Exact Mass604.16
IUPAC Name9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5sc43)c2c1
InChIInChI=1S/C42H24N2OS/c1-5-13-35-27(9-1)28-10-2-6-14-36(28)43(35)25-17-21-39-33(23-25)31-19-20-32-34-24-26(18-22-40(34)46-42(32)41(31)45-39)44-37-15-7-3-11-29(37)30-12-4-8-16-38(30)44/h1-24H
InChIKeyRMPROJXUZXLCPO-UHFFFAOYSA-N
XLogP12.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole with MolForge

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Related Compounds

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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole
CID 146664228
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
3-[9-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497220
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 169011262
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
CID 140811709
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194
3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 152935569

Frequently Asked Questions

What is the IUPAC name of 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole?
The IUPAC name of 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole (CID 59147172) is 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole.
What is the SMILES notation for 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole?
The canonical SMILES for 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5sc43)c2c1.
What is the InChIKey of 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole?
The InChIKey is RMPROJXUZXLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2OS/c1-5-13-35-27(9-1)28-10-2-6-14-36(28)43(35)25-17-21-39-33(23-25)31-19-20-32-34-24-26(18-22-40(34)46-42(32)41(31)45-39)44-37-15-7-3-11-29(37)30-12-4-8-16-38(30)44/h1-24H.
What are the key properties of 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole?
9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole has a molecular weight of 604.73 g/mol, XLogP of 12.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole is sourced from PubChem (CID 59147172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).