9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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

C54H34N2O2 — CID 144670243

IUPAC9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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
SMILESC1=CC2C(C=C1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4c(ccc5oc6ccccc6c54)c3c1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C54H34N2O2/c1-3-13-36(14-4-1)55-46-20-10-7-17-38(46)43-29-33(23-26-48(43)55)35-31-42(53-45(32-35)40-25-28-51-52(54(40)58-53)41-19-9-12-22-50(41)57-51)34-24-27-49-44(30-34)39-18-8-11-21-47(39)56(49)37-15-5-2-6-16-37/h1-32,43,48H
InChIKeyUJSCGYPHDVFLHR-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.51
Rot. Bonds4

About 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 144670243) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 CID144670243
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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
SMILESC1=CC2C(C=C1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4c(ccc5oc6ccccc6c54)c3c1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C54H34N2O2/c1-3-13-36(14-4-1)55-46-20-10-7-17-38(46)43-29-33(23-26-48(43)55)35-31-42(53-45(32-35)40-25-28-51-52(54(40)58-53)41-19-9-12-22-50(41)57-51)34-24-27-49-44(30-34)39-18-8-11-21-47(39)56(49)37-15-5-2-6-16-37/h1-32,43,48H
InChIKeyUJSCGYPHDVFLHR-UHFFFAOYSA-N
XLogP14.51
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-[5-(3-dibenzofuran-2-ylphenyl)-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]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-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 161111078
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 171405969
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
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
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145318401
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(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)-9-phenylcarbazole
CID 142487806

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 144670243) is 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 C1=CC2C(C=C1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4c(ccc5oc6ccccc6c54)c3c1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 UJSCGYPHDVFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-3-13-36(14-4-1)55-46-20-10-7-17-38(46)43-29-33(23-26-48(43)55)35-31-42(53-45(32-35)40-25-28-51-52(54(40)58-53)41-19-9-12-22-50(41)57-51)34-24-27-49-44(30-34)39-18-8-11-21-47(39)56(49)37-15-5-2-6-16-37/h1-32,43,48H.
What are the key properties of 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 742.88 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-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 144670243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).