9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole

C54H34N2O2 — CID 67953594

IUPAC9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
SMILESC1=CC2c3ccc4c(oc5c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc54)c3OC2C(c2cccc(-n3c4ccccc4c4ccccc43)c2)=C1
InChIInChI=1S/C54H34N2O2/c1-5-25-47-39(17-1)40-18-2-6-26-48(40)55(47)35-15-9-13-33(31-35)37-21-11-23-43-45-29-30-46-44-24-12-22-38(52(44)58-54(46)53(45)57-51(37)43)34-14-10-16-36(32-34)56-49-27-7-3-19-41(49)42-20-4-8-28-50(42)56/h1-32,43,51H
InChIKeyOWOBOLPKSCFUHO-UHFFFAOYSA-N
MW742.88 g/mol
LogP13.95
Rot. Bonds4

About 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole

9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole (PubChem CID 67953594) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
PubChem CID67953594
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
SMILESC1=CC2c3ccc4c(oc5c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc54)c3OC2C(c2cccc(-n3c4ccccc4c4ccccc43)c2)=C1
InChIInChI=1S/C54H34N2O2/c1-5-25-47-39(17-1)40-18-2-6-26-48(40)55(47)35-15-9-13-33(31-35)37-21-11-23-43-45-29-30-46-44-24-12-22-38(52(44)58-54(46)53(45)57-51(37)43)34-14-10-16-36(32-34)56-49-27-7-3-19-41(49)42-20-4-8-28-50(42)56/h1-32,43,51H
InChIKeyOWOBOLPKSCFUHO-UHFFFAOYSA-N
XLogP13.95
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
8,16-di(triphenylen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaene
CID 88882610
9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
CID 155160118
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828
3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole
CID 163935646
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361

Frequently Asked Questions

What is the IUPAC name of 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole (CID 67953594) is 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole is C1=CC2c3ccc4c(oc5c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc54)c3OC2C(c2cccc(-n3c4ccccc4c4ccccc43)c2)=C1.
What is the InChIKey of 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole?
The InChIKey is OWOBOLPKSCFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-5-25-47-39(17-1)40-18-2-6-26-48(40)55(47)35-15-9-13-33(31-35)37-21-11-23-43-45-29-30-46-44-24-12-22-38(52(44)58-54(46)53(45)57-51(37)43)34-14-10-16-36(32-34)56-49-27-7-3-19-41(49)42-20-4-8-28-50(42)56/h1-32,43,51H.
What are the key properties of 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole?
9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole has a molecular weight of 742.88 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole is sourced from PubChem (CID 67953594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).