8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

C56H38N2 — CID 59181645

IUPAC8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESCN1c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(-c2c(-c4ccccc4)ccc4ccccc24)cc1n3C
InChIInChI=1S/C56H38N2/c1-57-49-23-13-22-47-55-46-31-27-40(54-42-21-12-10-19-38(42)25-29-44(54)36-16-7-4-8-17-36)33-51(46)58(2)52(55)34-48(56(47)49)45-30-26-39(32-50(45)57)53-41-20-11-9-18-37(41)24-28-43(53)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyPIZIXTBQCAUPMI-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.21
Rot. Bonds4

About 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (PubChem CID 59181645) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.

Molecular Properties

Compound Name8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
PubChem CID59181645
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESCN1c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(-c2c(-c4ccccc4)ccc4ccccc24)cc1n3C
InChIInChI=1S/C56H38N2/c1-57-49-23-13-22-47-55-46-31-27-40(54-42-21-12-10-19-38(42)25-29-44(54)36-16-7-4-8-17-36)33-51(46)58(2)52(55)34-48(56(47)49)45-30-26-39(32-50(45)57)53-41-20-11-9-18-37(41)24-28-43(53)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyPIZIXTBQCAUPMI-UHFFFAOYSA-N
XLogP15.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene with MolForge

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Related Compounds

4-[8,21-dimethyl-18-[4-(N-phenylanilino)phenyl]-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-5-yl]-N,N-diphenylaniline
CID 59182338
8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182269
5-N,18-N-bis(4-tert-butylphenyl)-8,21-dimethyl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182753
9,21-dimethyl-6,18-dinaphthalen-1-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182288
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
9,21-dimethyl-6,18-di(phenanthren-9-yl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182604
1,2-diphenylnaphthalene
CID 11208267
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167

Frequently Asked Questions

What is the IUPAC name of 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The IUPAC name of 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (CID 59181645) is 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.
What is the SMILES notation for 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The canonical SMILES for 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is CN1c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(-c2c(-c4ccccc4)ccc4ccccc24)cc1n3C.
What is the InChIKey of 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The InChIKey is PIZIXTBQCAUPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-57-49-23-13-22-47-55-46-31-27-40(54-42-21-12-10-19-38(42)25-29-44(54)36-16-7-4-8-17-36)33-51(46)58(2)52(55)34-48(56(47)49)45-30-26-39(32-50(45)57)53-41-20-11-9-18-37(41)24-28-43(53)35-14-5-3-6-15-35/h3-34H,1-2H3.
What are the key properties of 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene has a molecular weight of 738.93 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is sourced from PubChem (CID 59181645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).