23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

C44H28N2 — CID 154947961

IUPAC23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)38-28-33(27-31-16-8-9-19-34(31)38)45-40-25-23-30-15-7-10-20-35(30)42(40)43-41(45)26-24-37-36-21-11-12-22-39(36)46(44(37)43)32-17-5-2-6-18-32/h1-28H
InChIKeyLHKMURKGNMBRTO-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (PubChem CID 154947961) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
PubChem CID154947961
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)38-28-33(27-31-16-8-9-19-34(31)38)45-40-25-23-30-15-7-10-20-35(30)42(40)43-41(45)26-24-37-36-21-11-12-22-39(36)46(44(37)43)32-17-5-2-6-18-32/h1-28H
InChIKeyLHKMURKGNMBRTO-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

23-(4-naphthalen-1-ylphenyl)-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 170180127
5-naphthalen-1-yl-12-(4-phenylnaphthalen-2-yl)indolo[3,2-c]carbazole
CID 167141720
5-(4-carbazol-9-ylphenyl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-(4-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-(4-phenylnaphthalen-2-yl)indolo[3,2-c]carbazole
CID 158187826
2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 163543270
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 161361766
15-phenyl-8-[4-(9-phenylcarbazol-2-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
CID 164740406
12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 159686435
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 160926980
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
2-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole
CID 121287520
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079

Frequently Asked Questions

What is the IUPAC name of 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The IUPAC name of 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (CID 154947961) is 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The canonical SMILES for 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is c1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc3ccccc23)cc1.
What is the InChIKey of 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The InChIKey is LHKMURKGNMBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-13-29(14-4-1)38-28-33(27-31-16-8-9-19-34(31)38)45-40-25-23-30-15-7-10-20-35(30)42(40)43-41(45)26-24-37-36-21-11-12-22-39(36)46(44(37)43)32-17-5-2-6-18-32/h1-28H.
What are the key properties of 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 154947961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).