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

C42H24N2O2 — CID 59147574

IUPAC9-(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
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1ccc3oc4cc(-n5c6ccccc6c6ccccc65)ccc4c3c12
InChIInChI=1S/C42H24N2O2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)43(33)25-17-19-31-39(23-25)45-37-21-22-38-42(41(31)37)32-20-18-26(24-40(32)46-38)44-35-15-7-3-11-29(35)30-12-4-8-16-36(30)44/h1-24H
InChIKeyYLYYJRJEJYQPPO-UHFFFAOYSA-N
MW588.67 g/mol
LogP11.68
Rot. Bonds2

About 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

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 (PubChem CID 59147574) has the molecular formula C42H24N2O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID59147574
Molecular FormulaC42H24N2O2
Molecular Weight588.67 g/mol
Exact Mass588.18
IUPAC Name9-(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
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1ccc3oc4cc(-n5c6ccccc6c6ccccc65)ccc4c3c12
InChIInChI=1S/C42H24N2O2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)43(33)25-17-19-31-39(23-25)45-37-21-22-38-42(41(31)37)32-20-18-26(24-40(32)46-38)44-35-15-7-3-11-29(35)30-12-4-8-16-36(30)44/h1-24H
InChIKeyYLYYJRJEJYQPPO-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-(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 with MolForge

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Related Compounds

9-(17-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-7-yl)carbazole
CID 59147323
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
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
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
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167192768
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1ccc3oc4cc(-n5c6ccccc6c6ccccc65)ccc4c3c12.
What is the InChIKey of 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?
The InChIKey is YLYYJRJEJYQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2O2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)43(33)25-17-19-31-39(23-25)45-37-21-22-38-42(41(31)37)32-20-18-26(24-40(32)46-38)44-35-15-7-3-11-29(35)30-12-4-8-16-36(30)44/h1-24H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 59147574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).