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

C60H32N2O4 — CID 67952828

IUPAC9-[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
SMILESc1cc(-c2cccc3c2oc2cc4c(cc23)oc2c(-n3c5ccccc5c5ccccc53)cccc24)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccccc32)cccc14
InChIInChI=1S/C60H32N2O4/c1-5-23-47-33(13-1)34-14-2-6-24-48(34)61(47)51-27-11-21-41-45-31-53-43(29-55(45)65-59(41)51)39-19-9-17-37(57(39)63-53)38-18-10-20-40-44-30-56-46(32-54(44)64-58(38)40)42-22-12-28-52(60(42)66-56)62-49-25-7-3-15-35(49)36-16-4-8-26-50(36)62/h1-32H
InChIKeyLCLOBFJCDONFNX-UHFFFAOYSA-N
MW844.93 g/mol
LogP17.15
Rot. Bonds3

About 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

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 (PubChem CID 67952828) has the molecular formula C60H32N2O4 and a molecular weight of 844.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID67952828
Molecular FormulaC60H32N2O4
Molecular Weight844.93 g/mol
Exact Mass844.24
IUPAC Name9-[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
SMILESc1cc(-c2cccc3c2oc2cc4c(cc23)oc2c(-n3c5ccccc5c5ccccc53)cccc24)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccccc32)cccc14
InChIInChI=1S/C60H32N2O4/c1-5-23-47-33(13-1)34-14-2-6-24-48(34)61(47)51-27-11-21-41-45-31-53-43(29-55(45)65-59(41)51)39-19-9-17-37(57(39)63-53)38-18-10-20-40-44-30-56-46(32-54(44)64-58(38)40)42-22-12-28-52(60(42)66-56)62-49-25-7-3-15-35(49)36-16-4-8-26-50(36)62/h1-32H
InChIKeyLCLOBFJCDONFNX-UHFFFAOYSA-N
XLogP17.15
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.93
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
9-(18-pyrido[3,4-b]indol-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)pyrido[3,4-b]indole
CID 59147045
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole;9-(7-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole;9-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole
CID 159764612
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
9-[4,6-bis(2-carbazol-9-ylphenyl)dibenzofuran-2-yl]carbazole
CID 58099699
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
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-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
CID 59147563

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cccc3c2oc2cc4c(cc23)oc2c(-n3c5ccccc5c5ccccc53)cccc24)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccccc32)cccc14.
What is the InChIKey of 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?
The InChIKey is LCLOBFJCDONFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32N2O4/c1-5-23-47-33(13-1)34-14-2-6-24-48(34)61(47)51-27-11-21-41-45-31-53-43(29-55(45)65-59(41)51)39-19-9-17-37(57(39)63-53)38-18-10-20-40-44-30-56-46(32-54(44)64-58(38)40)42-22-12-28-52(60(42)66-56)62-49-25-7-3-15-35(49)36-16-4-8-26-50(36)62/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 844.93 g/mol, XLogP of 17.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67952828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).