3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole

C65H43N — CID 121430566

IUPAC3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccc3ccccc3c2-c2c1c1ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c3)cc1c1ccccc21
InChIInChI=1S/C65H43N/c1-65(2)57-35-32-40-17-6-7-22-46(40)62(57)63-49-25-9-8-23-47(49)55-38-42(31-34-54(55)64(63)65)41-18-16-19-43(37-41)60-50-26-10-12-28-52(50)61(53-29-13-11-27-51(53)60)44-33-36-59-56(39-44)48-24-14-15-30-58(48)66(59)45-20-4-3-5-21-45/h3-39H,1-2H3
InChIKeyHRIWUAMKETXNOW-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.86
Rot. Bonds4

About 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole

3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole (PubChem CID 121430566) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
PubChem CID121430566
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC Name3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccc3ccccc3c2-c2c1c1ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c3)cc1c1ccccc21
InChIInChI=1S/C65H43N/c1-65(2)57-35-32-40-17-6-7-22-46(40)62(57)63-49-25-9-8-23-47(49)55-38-42(31-34-54(55)64(63)65)41-18-16-19-43(37-41)60-50-26-10-12-28-52(50)61(53-29-13-11-27-51(53)60)44-33-36-59-56(39-44)48-24-14-15-30-58(48)66(59)45-20-4-3-5-21-45/h3-39H,1-2H3
InChIKeyHRIWUAMKETXNOW-UHFFFAOYSA-N
XLogP17.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 517.86
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-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole with MolForge

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Related Compounds

5-anthracen-9-yl-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725431
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
3-[9-(7,7-dimethylbenzo[c]fluoren-11-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118487722
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
25,25-dimethyl-5-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725728
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
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-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
25,25-dimethyl-5-(2-phenanthren-9-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725303
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 145085350
3-[21-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-6-heptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21,24,26,28-tetradecaenyl]-9-phenylcarbazole
CID 138727050

Frequently Asked Questions

What is the IUPAC name of 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole (CID 121430566) is 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole is CC1(C)c2ccc3ccccc3c2-c2c1c1ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c3)cc1c1ccccc21.
What is the InChIKey of 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is HRIWUAMKETXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-65(2)57-35-32-40-17-6-7-22-46(40)62(57)63-49-25-9-8-23-47(49)55-38-42(31-34-54(55)64(63)65)41-18-16-19-43(37-41)60-50-26-10-12-28-52(50)61(53-29-13-11-27-51(53)60)44-33-36-59-56(39-44)48-24-14-15-30-58(48)66(59)45-20-4-3-5-21-45/h3-39H,1-2H3.
What are the key properties of 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole?
3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 838.07 g/mol, XLogP of 17.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 121430566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).