9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole

C56H32N2O2 — CID 59147464

IUPAC9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole
SMILESc1ccc2c(c1)cc(-c1c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc3c1oc1ccc(-n4c5ccccc5c5ccccc54)cc13)c1ccccc12
InChIInChI=1S/C56H32N2O2/c1-2-14-36-33(13-1)29-45(38-16-4-3-15-37(36)38)54-55-46(43-30-34(25-27-52(43)59-55)57-48-21-9-5-17-39(48)40-18-6-10-22-49(40)57)32-47-44-31-35(26-28-53(44)60-56(47)54)58-50-23-11-7-19-41(50)42-20-8-12-24-51(42)58/h1-32H
InChIKeyQBLFLFGSXVVBSC-UHFFFAOYSA-N
MW764.88 g/mol
LogP15.65
Rot. Bonds3

About 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole

9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole (PubChem CID 59147464) has the molecular formula C56H32N2O2 and a molecular weight of 764.88 g/mol. Its IUPAC name is 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole.

Molecular Properties

Compound Name9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole
PubChem CID59147464
Molecular FormulaC56H32N2O2
Molecular Weight764.88 g/mol
Exact Mass764.25
IUPAC Name9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole
SMILESc1ccc2c(c1)cc(-c1c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc3c1oc1ccc(-n4c5ccccc5c5ccccc54)cc13)c1ccccc12
InChIInChI=1S/C56H32N2O2/c1-2-14-36-33(13-1)29-45(38-16-4-3-15-37(36)38)54-55-46(43-30-34(25-27-52(43)59-55)57-48-21-9-5-17-39(48)40-18-6-10-22-49(40)57)32-47-44-31-35(26-28-53(44)60-56(47)54)58-50-23-11-7-19-41(50)42-20-8-12-24-51(42)58/h1-32H
InChIKeyQBLFLFGSXVVBSC-UHFFFAOYSA-N
XLogP15.65
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole with MolForge

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Related Compounds

9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147222
9-[6-carbazol-9-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]carbazole
CID 59220270
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-(18-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147268
9-[16-carbazol-9-yl-2-(3-phenylphenyl)-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 59147353
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
9-(3-dibenzofuran-2-ylphenyl)-3-(6-phenanthren-9-yldibenzofuran-2-yl)carbazole
CID 121449285
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
CID 163843393
9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 89433730
9-(16-carbazol-9-yl-11,12-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147144
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003

Frequently Asked Questions

What is the IUPAC name of 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole?
The IUPAC name of 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole (CID 59147464) is 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole.
What is the SMILES notation for 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole?
The canonical SMILES for 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole is c1ccc2c(c1)cc(-c1c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc3c1oc1ccc(-n4c5ccccc5c5ccccc54)cc13)c1ccccc12.
What is the InChIKey of 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole?
The InChIKey is QBLFLFGSXVVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O2/c1-2-14-36-33(13-1)29-45(38-16-4-3-15-37(36)38)54-55-46(43-30-34(25-27-52(43)59-55)57-48-21-9-5-17-39(48)40-18-6-10-22-49(40)57)32-47-44-31-35(26-28-53(44)60-56(47)54)58-50-23-11-7-19-41(50)42-20-8-12-24-51(42)58/h1-32H.
What are the key properties of 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole?
9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole has a molecular weight of 764.88 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole is sourced from PubChem (CID 59147464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).