9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole

C65H45N — CID 123541613

IUPAC9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)CC(c1ccc2c4ccccc4c4ccccc4c2c1)c1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc42)cc1-3
InChIInChI=1S/C65H45N/c1-65(2)61-24-14-13-23-53(61)58-39-55-45(37-62(58)65)36-54(44-25-29-51-49-21-10-9-19-47(49)48-20-11-12-22-50(48)56(51)35-44)52-30-28-46(38-57(52)55)66-63-31-26-42(40-15-5-3-6-16-40)33-59(63)60-34-43(27-32-64(60)66)41-17-7-4-8-18-41/h3-35,37-39,54H,36H2,1-2H3
InChIKeyGEHVVVJRBQTVEA-UHFFFAOYSA-N
MW840.08 g/mol
LogP17.24
Rot. Bonds4

About 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole

9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole (PubChem CID 123541613) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole
PubChem CID123541613
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC Name9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)CC(c1ccc2c4ccccc4c4ccccc4c2c1)c1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc42)cc1-3
InChIInChI=1S/C65H45N/c1-65(2)61-24-14-13-23-53(61)58-39-55-45(37-62(58)65)36-54(44-25-29-51-49-21-10-9-19-47(49)48-20-11-12-22-50(48)56(51)35-44)52-30-28-46(38-57(52)55)66-63-31-26-42(40-15-5-3-6-16-40)33-59(63)60-34-43(27-32-64(60)66)41-17-7-4-8-18-41/h3-35,37-39,54H,36H2,1-2H3
InChIKeyGEHVVVJRBQTVEA-UHFFFAOYSA-N
XLogP17.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123682532
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527979
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086

Frequently Asked Questions

What is the IUPAC name of 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole (CID 123541613) is 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole is CC1(C)c2ccccc2-c2cc3c(cc21)CC(c1ccc2c4ccccc4c4ccccc4c2c1)c1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc42)cc1-3.
What is the InChIKey of 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole?
The InChIKey is GEHVVVJRBQTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-65(2)61-24-14-13-23-53(61)58-39-55-45(37-62(58)65)36-54(44-25-29-51-49-21-10-9-19-47(49)48-20-11-12-22-50(48)56(51)35-44)52-30-28-46(38-57(52)55)66-63-31-26-42(40-15-5-3-6-16-40)33-59(63)60-34-43(27-32-64(60)66)41-17-7-4-8-18-41/h3-35,37-39,54H,36H2,1-2H3.
What are the key properties of 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole?
9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole has a molecular weight of 840.08 g/mol, XLogP of 17.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole is sourced from PubChem (CID 123541613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).