9-(16-carbazol-9-yl-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-18-yl)carbazole

C42H24N2O2 — CID 59147202

IUPAC9-(16-carbazol-9-yl-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-18-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc3c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4oc3c12
InChIInChI=1S/C42H24N2O2/c1-6-16-33-26(11-1)27-12-2-7-17-34(27)43(33)25-23-32-30-21-22-39-40(31-15-5-10-20-38(31)45-39)42(30)46-41(32)37(24-25)44-35-18-8-3-13-28(35)29-14-4-9-19-36(29)44/h1-24H
InChIKeyXXGWCBIOJLKNAU-UHFFFAOYSA-N
MW588.67 g/mol
LogP11.68
Rot. Bonds2

About 9-(16-carbazol-9-yl-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-18-yl)carbazole

9-(16-carbazol-9-yl-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-18-yl)carbazole (PubChem CID 59147202) has the molecular formula C42H24N2O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is 9-(16-carbazol-9-yl-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-18-yl)carbazole.

Molecular Properties

Compound Name9-(16-carbazol-9-yl-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-18-yl)carbazole
PubChem CID59147202
Molecular FormulaC42H24N2O2
Molecular Weight588.67 g/mol
Exact Mass588.18
IUPAC Name9-(16-carbazol-9-yl-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-18-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc3c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4oc3c12
InChIInChI=1S/C42H24N2O2/c1-6-16-33-26(11-1)27-12-2-7-17-34(27)43(33)25-23-32-30-21-22-39-40(31-15-5-10-20-38(31)45-39)42(30)46-41(32)37(24-25)44-35-18-8-3-13-28(35)29-14-4-9-19-36(29)44/h1-24H
InChIKeyXXGWCBIOJLKNAU-UHFFFAOYSA-N
XLogP11.68
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(16-carbazol-9-yl-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-18-yl)carbazole with MolForge

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Related Compounds

9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 137496813
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
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
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
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
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
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138568922
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

Frequently Asked Questions

What is the IUPAC name of 9-(16-carbazol-9-yl-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-18-yl)carbazole?
The IUPAC name of 9-(16-carbazol-9-yl-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-18-yl)carbazole (CID 59147202) is 9-(16-carbazol-9-yl-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-18-yl)carbazole.
What is the SMILES notation for 9-(16-carbazol-9-yl-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-18-yl)carbazole?
The canonical SMILES for 9-(16-carbazol-9-yl-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-18-yl)carbazole is c1ccc2c(c1)oc1ccc3c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4oc3c12.
What is the InChIKey of 9-(16-carbazol-9-yl-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-18-yl)carbazole?
The InChIKey is XXGWCBIOJLKNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2O2/c1-6-16-33-26(11-1)27-12-2-7-17-34(27)43(33)25-23-32-30-21-22-39-40(31-15-5-10-20-38(31)45-39)42(30)46-41(32)37(24-25)44-35-18-8-3-13-28(35)29-14-4-9-19-36(29)44/h1-24H.
What are the key properties of 9-(16-carbazol-9-yl-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-18-yl)carbazole?
9-(16-carbazol-9-yl-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-18-yl)carbazole has a molecular weight of 588.67 g/mol, XLogP of 11.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(16-carbazol-9-yl-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-18-yl)carbazole is sourced from PubChem (CID 59147202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).