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

C59H39N — CID 121430810

IUPAC3-[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
SMILESCC1(C)c2cc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc3cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C59H39N/c1-59(2)52-35-39-32-37(29-28-36(39)33-51(52)57-44-21-8-6-18-41(44)42-19-7-13-26-49(42)58(57)59)55-45-22-9-11-24-47(45)56(48-25-12-10-23-46(48)55)38-30-31-54-50(34-38)43-20-14-15-27-53(43)60(54)40-16-4-3-5-17-40/h3-35H,1-2H3
InChIKeyVKAFLRHFAHNEHF-UHFFFAOYSA-N
MW761.97 g/mol
LogP16.19
Rot. Bonds3

About 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

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 (PubChem CID 121430810) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID121430810
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC Name3-[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
SMILESCC1(C)c2cc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc3cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C59H39N/c1-59(2)52-35-39-32-37(29-28-36(39)33-51(52)57-44-21-8-6-18-41(44)42-19-7-13-26-49(42)58(57)59)55-45-22-9-11-24-47(45)56(48-25-12-10-23-46(48)55)38-30-31-54-50(34-38)43-20-14-15-27-53(43)60(54)40-16-4-3-5-17-40/h3-35H,1-2H3
InChIKeyVKAFLRHFAHNEHF-UHFFFAOYSA-N
XLogP16.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 516.19
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-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 with MolForge

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Related Compounds

25,25-dimethyl-20-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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-dodecaene
CID 140725846
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
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-[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
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
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
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
17-(9,10-dinaphthalen-2-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724653
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc3cc2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 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?
The InChIKey is VKAFLRHFAHNEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-59(2)52-35-39-32-37(29-28-36(39)33-51(52)57-44-21-8-6-18-41(44)42-19-7-13-26-49(42)58(57)59)55-45-22-9-11-24-47(45)56(48-25-12-10-23-46(48)55)38-30-31-54-50(34-38)43-20-14-15-27-53(43)60(54)40-16-4-3-5-17-40/h3-35H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 761.97 g/mol, XLogP of 16.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121430810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).