15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene

C35H24N2 — CID 118489074

IUPAC15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
SMILESCC1(C)c2cc3ccc4ccccc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21
InChIInChI=1S/C35H24N2/c1-35(2)29-20-28(24-15-13-21-8-3-4-10-23(21)18-24)27-12-7-17-36-33(27)31(29)34-30(35)19-25-16-14-22-9-5-6-11-26(22)32(25)37-34/h3-20H,1-2H3
InChIKeyMEQVQKIUWQHNSG-UHFFFAOYSA-N
MW472.59 g/mol
LogP9.06
Rot. Bonds1

About 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene

15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene (PubChem CID 118489074) has the molecular formula C35H24N2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene.

Molecular Properties

Compound Name15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
PubChem CID118489074
Molecular FormulaC35H24N2
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
SMILESCC1(C)c2cc3ccc4ccccc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21
InChIInChI=1S/C35H24N2/c1-35(2)29-20-28(24-15-13-21-8-3-4-10-23(21)18-24)27-12-7-17-36-33(27)31(29)34-30(35)19-25-16-14-22-9-5-6-11-26(22)32(25)37-34/h3-20H,1-2H3
InChIKeyMEQVQKIUWQHNSG-UHFFFAOYSA-N
XLogP9.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene with MolForge

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Related Compounds

15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
CID 118489114
12,12-dimethyl-9,15-dinaphthalen-2-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151535
7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline
CID 88549693
12,12-dimethyl-9-naphthalen-2-yl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710788
6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
CID 151204837
2'-(1,10-phenanthrolin-5-yl)spiro[2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 121308429
5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207
11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 118489067
12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710600
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
5-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-5-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484545

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The IUPAC name of 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene (CID 118489074) is 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene.
What is the SMILES notation for 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The canonical SMILES for 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene is CC1(C)c2cc3ccc4ccccc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21.
What is the InChIKey of 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The InChIKey is MEQVQKIUWQHNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2/c1-35(2)29-20-28(24-15-13-21-8-3-4-10-23(21)18-24)27-12-7-17-36-33(27)31(29)34-30(35)19-25-16-14-22-9-5-6-11-26(22)32(25)37-34/h3-20H,1-2H3.
What are the key properties of 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene has a molecular weight of 472.59 g/mol, XLogP of 9.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene is sourced from PubChem (CID 118489074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).