22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene

C50H42N2 — CID 177087294

IUPAC22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c(cc1n3-c1ccccc1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C50H42N2/c1-49(2)24-25-50(3,4)44-32-48-40(29-43(44)49)42-31-46-41(30-47(42)51(48)37-20-12-7-13-21-37)39-22-14-15-23-45(39)52(46)38-27-35(33-16-8-5-9-17-33)26-36(28-38)34-18-10-6-11-19-34/h5-23,26-32H,24-25H2,1-4H3
InChIKeyVZLDFBWAHWYNLQ-UHFFFAOYSA-N
MW670.90 g/mol
LogP13.56
Rot. Bonds4

About 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene

22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene (PubChem CID 177087294) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene.

Molecular Properties

Compound Name22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
PubChem CID177087294
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c(cc1n3-c1ccccc1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C50H42N2/c1-49(2)24-25-50(3,4)44-32-48-40(29-43(44)49)42-31-46-41(30-47(42)51(48)37-20-12-7-13-21-37)39-22-14-15-23-45(39)52(46)38-27-35(33-16-8-5-9-17-33)26-36(28-38)34-18-10-6-11-19-34/h5-23,26-32H,24-25H2,1-4H3
InChIKeyVZLDFBWAHWYNLQ-UHFFFAOYSA-N
XLogP13.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene with MolForge

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Related Compounds

22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087060
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 146581716
9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-(4-carbazol-9-ylphenyl)-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177087240
21,21,24,24-tetramethyl-14-phenyl-28-(9-phenylcarbazol-3-yl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086735
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5,5,8,8-tetramethyl-22-[4-naphthalen-2-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177086954

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?
The IUPAC name of 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene (CID 177087294) is 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene.
What is the SMILES notation for 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?
The canonical SMILES for 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c(cc1n3-c1ccccc1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?
The InChIKey is VZLDFBWAHWYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-49(2)24-25-50(3,4)44-32-48-40(29-43(44)49)42-31-46-41(30-47(42)51(48)37-20-12-7-13-21-37)39-22-14-15-23-45(39)52(46)38-27-35(33-16-8-5-9-17-33)26-36(28-38)34-18-10-6-11-19-34/h5-23,26-32H,24-25H2,1-4H3.
What are the key properties of 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?
22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene has a molecular weight of 670.90 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene is sourced from PubChem (CID 177087294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).