13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene

C39H26N2 — CID 146789246

IUPAC13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)N3c5ccccc5NC3c3c-4ccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C39H26N2/c1-2-10-25(11-3-1)28-22-23-29(32-15-7-6-14-31(28)32)27-19-20-33-34-21-18-26-12-4-5-13-30(26)38(34)39-40-35-16-8-9-17-36(35)41(39)37(33)24-27/h1-24,39-40H
InChIKeyRVMKNVXZXKJJJO-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.57
Rot. Bonds2

About 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene

13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene (PubChem CID 146789246) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene.

Molecular Properties

Compound Name13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
PubChem CID146789246
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)N3c5ccccc5NC3c3c-4ccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C39H26N2/c1-2-10-25(11-3-1)28-22-23-29(32-15-7-6-14-31(28)32)27-19-20-33-34-21-18-26-12-4-5-13-30(26)38(34)39-40-35-16-8-9-17-36(35)41(39)37(33)24-27/h1-24,39-40H
InChIKeyRVMKNVXZXKJJJO-UHFFFAOYSA-N
XLogP10.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene with MolForge

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Related Compounds

2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 143828963
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
CID 130241934
3,10,26-triazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(17),4,6,8,11,13,15,18,20,22,24,27-dodecaene
CID 90432942
2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 153271176
2-ethyl-3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-1,2-dihydrobenzimidazole
CID 175630970
3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole
CID 122696305
3-naphthalen-2-yl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-naphthalen-2-yl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole
CID 158319996
1,2-diphenylnaphthalene
CID 11208267
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene?
The IUPAC name of 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene (CID 146789246) is 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene.
What is the SMILES notation for 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene?
The canonical SMILES for 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene is c1ccc(-c2ccc(-c3ccc4c(c3)N3c5ccccc5NC3c3c-4ccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene?
The InChIKey is RVMKNVXZXKJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-2-10-25(11-3-1)28-22-23-29(32-15-7-6-14-31(28)32)27-19-20-33-34-21-18-26-12-4-5-13-30(26)38(34)39-40-35-16-8-9-17-36(35)41(39)37(33)24-27/h1-24,39-40H.
What are the key properties of 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene?
13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene has a molecular weight of 522.65 g/mol, XLogP of 10.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene is sourced from PubChem (CID 146789246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).