3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole

C69H43N — CID 121431082

IUPAC3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c7c(ccc6c5)-c5c(c6ccccc6c6ccccc56)C7(c5ccccc5)c5ccccc5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C69H43N/c1-4-20-47(21-5-1)69(48-22-6-2-7-23-48)67-50-39-37-45(42-44(50)36-40-60(67)66-54-29-12-10-26-51(54)52-27-11-17-34-59(52)68(66)69)64-55-30-13-15-32-57(55)65(58-33-16-14-31-56(58)64)46-38-41-63-61(43-46)53-28-18-19-35-62(53)70(63)49-24-8-3-9-25-49/h1-43H
InChIKeyPRLXQLIXQJREQX-UHFFFAOYSA-N
MW886.11 g/mol
LogP18.25
Rot. Bonds5

About 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole

3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 121431082) has the molecular formula C69H43N and a molecular weight of 886.11 g/mol. Its IUPAC name is 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID121431082
Molecular FormulaC69H43N
Molecular Weight886.11 g/mol
Exact Mass885.34
IUPAC Name3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c7c(ccc6c5)-c5c(c6ccccc6c6ccccc56)C7(c5ccccc5)c5ccccc5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C69H43N/c1-4-20-47(21-5-1)69(48-22-6-2-7-23-48)67-50-39-37-45(42-44(50)36-40-60(67)66-54-29-12-10-26-51(54)52-27-11-17-34-59(52)68(66)69)64-55-30-13-15-32-57(55)65(58-33-16-14-31-56(58)64)46-38-41-63-61(43-46)53-28-18-19-35-62(53)70(63)49-24-8-3-9-25-49/h1-43H
InChIKeyPRLXQLIXQJREQX-UHFFFAOYSA-N
XLogP18.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.11
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[10-[4-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 121431071
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
3-[10-[4-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 121431052
9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
CID 137493933
3-[10-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
CID 121430810
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
2-(10-phenanthren-2-ylanthracen-9-yl)-9-phenylcarbazole;9-phenanthren-2-yl-10-phenanthren-9-ylanthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene;2-(10-pyren-2-ylanthracen-9-yl)pyrene
CID 159003885
1-phenyl-2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)benzimidazole
CID 140962713
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546

Frequently Asked Questions

What is the IUPAC name of 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole (CID 121431082) is 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c7c(ccc6c5)-c5c(c6ccccc6c6ccccc56)C7(c5ccccc5)c5ccccc5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is PRLXQLIXQJREQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N/c1-4-20-47(21-5-1)69(48-22-6-2-7-23-48)67-50-39-37-45(42-44(50)36-40-60(67)66-54-29-12-10-26-51(54)52-27-11-17-34-59(52)68(66)69)64-55-30-13-15-32-57(55)65(58-33-16-14-31-56(58)64)46-38-41-63-61(43-46)53-28-18-19-35-62(53)70(63)49-24-8-3-9-25-49/h1-43H.
What are the key properties of 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 886.11 g/mol, XLogP of 18.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 121431082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).