3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole

C48H33NO2 — CID 71058954

IUPAC3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole
SMILESC1=CCC(C2=CC3Oc4cc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c5cc4C3C=C2)C=C1
InChIInChI=1S/C48H33NO2/c1-4-10-30(11-5-1)32-18-22-43-39(24-32)40-25-33(19-23-44(40)49(43)36-14-8-3-9-15-36)35-17-21-38-42-28-41-37-20-16-34(31-12-6-2-7-13-31)26-45(37)50-47(41)29-48(42)51-46(38)27-35/h1-12,14-29,31,37,45H,13H2
InChIKeyQSYWFKGKDNGVOW-UHFFFAOYSA-N
MW655.80 g/mol
LogP12.49
Rot. Bonds4

About 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole

3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole (PubChem CID 71058954) has the molecular formula C48H33NO2 and a molecular weight of 655.80 g/mol. Its IUPAC name is 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole
PubChem CID71058954
Molecular FormulaC48H33NO2
Molecular Weight655.80 g/mol
Exact Mass655.25
IUPAC Name3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole
SMILESC1=CCC(C2=CC3Oc4cc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c5cc4C3C=C2)C=C1
InChIInChI=1S/C48H33NO2/c1-4-10-30(11-5-1)32-18-22-43-39(24-32)40-25-33(19-23-44(40)49(43)36-14-8-3-9-15-36)35-17-21-38-42-28-41-37-20-16-34(31-12-6-2-7-13-31)26-45(37)50-47(41)29-48(42)51-46(38)27-35/h1-12,14-29,31,37,45H,13H2
InChIKeyQSYWFKGKDNGVOW-UHFFFAOYSA-N
XLogP12.49
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
CID 118963240
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078

Frequently Asked Questions

What is the IUPAC name of 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole?
The IUPAC name of 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole (CID 71058954) is 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole.
What is the SMILES notation for 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole?
The canonical SMILES for 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole is C1=CCC(C2=CC3Oc4cc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c5cc4C3C=C2)C=C1.
What is the InChIKey of 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole?
The InChIKey is QSYWFKGKDNGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO2/c1-4-10-30(11-5-1)32-18-22-43-39(24-32)40-25-33(19-23-44(40)49(43)36-14-8-3-9-15-36)35-17-21-38-42-28-41-37-20-16-34(31-12-6-2-7-13-31)26-45(37)50-47(41)29-48(42)51-46(38)27-35/h1-12,14-29,31,37,45H,13H2.
What are the key properties of 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole?
3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole has a molecular weight of 655.80 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(17-cyclohexa-2,4-dien-1-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaen-7-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 71058954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).