9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole

C54H32N2O2 — CID 67952832

IUPAC9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cc5oc6c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1
InChIInChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)35-27-41(34-17-5-2-6-18-34)53-44(28-35)42-31-43-45-29-36(55-46-23-11-7-19-37(46)38-20-8-12-24-47(38)55)30-50(54(45)58-52(43)32-51(42)57-53)56-48-25-13-9-21-39(48)40-22-10-14-26-49(40)56/h1-32H
InChIKeyPFQJLFGWIXZKQI-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole

9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole (PubChem CID 67952832) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole
PubChem CID67952832
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cc5oc6c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1
InChIInChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)35-27-41(34-17-5-2-6-18-34)53-44(28-35)42-31-43-45-29-36(55-46-23-11-7-19-37(46)38-20-8-12-24-47(38)55)30-50(54(45)58-52(43)32-51(42)57-53)56-48-25-13-9-21-39(48)40-22-10-14-26-49(40)56/h1-32H
InChIKeyPFQJLFGWIXZKQI-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole with MolForge

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Related Compounds

9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 137496813
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
5-(3-carbazol-9-ylphenyl)-11-dibenzofuran-2-ylindolo[3,2-b]carbazole;5-(4-carbazol-9-ylphenyl)-11-dibenzofuran-2-ylindolo[3,2-b]carbazole;11-dibenzofuran-2-yl-5-phenylindolo[3,2-b]carbazole;5,11-di(dibenzofuran-2-yl)indolo[3,2-b]carbazole;9-phenyl-3-(8-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-phenyl-3-(16-phenyl-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 161199130
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
CID 166495739
9-(4-carbazol-9-yl-9-methyldibenzofuran-2-yl)-3-[4-(4-phenylphenyl)phenyl]carbazole
CID 155111405
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
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
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole
CID 87156614
9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
CID 164838462

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole (CID 67952832) is 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)c3oc4cc5oc6c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)cc6c5cc4c3c2)cc1.
What is the InChIKey of 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole?
The InChIKey is PFQJLFGWIXZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)35-27-41(34-17-5-2-6-18-34)53-44(28-35)42-31-43-45-29-36(55-46-23-11-7-19-37(46)38-20-8-12-24-47(38)55)30-50(54(45)58-52(43)32-51(42)57-53)56-48-25-13-9-21-39(48)40-22-10-14-26-49(40)56/h1-32H.
What are the key properties of 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole?
9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole is sourced from PubChem (CID 67952832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).