10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

C61H42N6 — CID 147263328

IUPAC10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2ccccc2n4-c2ccccc2)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)n1
InChIInChI=1S/C61H42N6/c1-35-18-24-54-48(28-35)49-29-36(2)19-25-55(49)66(54)60-62-59(63-61(64-60)67-56-26-20-37(3)30-50(56)51-31-38(4)21-27-57(51)67)39-22-23-43-45(32-39)41-14-8-9-15-42(41)47-34-58-52(33-46(43)47)44-16-10-11-17-53(44)65(58)40-12-6-5-7-13-40/h5-34H,1-4H3
InChIKeyCOZNWSKEJGSCFV-UHFFFAOYSA-N
MW859.05 g/mol
LogP15.52
Rot. Bonds4

About 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (PubChem CID 147263328) has the molecular formula C61H42N6 and a molecular weight of 859.05 g/mol. Its IUPAC name is 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.

Molecular Properties

Compound Name10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
PubChem CID147263328
Molecular FormulaC61H42N6
Molecular Weight859.05 g/mol
Exact Mass858.35
IUPAC Name10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2ccccc2n4-c2ccccc2)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)n1
InChIInChI=1S/C61H42N6/c1-35-18-24-54-48(28-35)49-29-36(2)19-25-55(49)66(54)60-62-59(63-61(64-60)67-56-26-20-37(3)30-50(56)51-31-38(4)21-27-57(51)67)39-22-23-43-45(32-39)41-14-8-9-15-42(41)47-34-58-52(33-46(43)47)44-16-10-11-17-53(44)65(58)40-12-6-5-7-13-40/h5-34H,1-4H3
InChIKeyCOZNWSKEJGSCFV-UHFFFAOYSA-N
XLogP15.52
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.05
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene with MolForge

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Related Compounds

5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-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 148586047
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole
CID 170542486
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324847
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The IUPAC name of 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (CID 147263328) is 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.
What is the SMILES notation for 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The canonical SMILES for 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2ccccc2n4-c2ccccc2)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)n1.
What is the InChIKey of 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The InChIKey is COZNWSKEJGSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N6/c1-35-18-24-54-48(28-35)49-29-36(2)19-25-55(49)66(54)60-62-59(63-61(64-60)67-56-26-20-37(3)30-50(56)51-31-38(4)21-27-57(51)67)39-22-23-43-45(32-39)41-14-8-9-15-42(41)47-34-58-52(33-46(43)47)44-16-10-11-17-53(44)65(58)40-12-6-5-7-13-40/h5-34H,1-4H3.
What are the key properties of 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene has a molecular weight of 859.05 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is sourced from PubChem (CID 147263328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).