6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene

C44H26N2 — CID 142290260

IUPAC6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3cc4ccc5c6cccc7c8ccccc8n(c5c4cc32)c76)c1
InChIInChI=1S/C44H26N2/c1-2-14-31-27(10-1)11-8-17-32(31)28-12-7-13-30(24-28)45-40-20-5-4-16-34(40)39-25-29-22-23-37-36-19-9-18-35-33-15-3-6-21-41(33)46(43(35)36)44(37)38(29)26-42(39)45/h1-26H
InChIKeyJWBIFUQHBBSRBP-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.91
Rot. Bonds2

About 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene

6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene (PubChem CID 142290260) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene.

Molecular Properties

Compound Name6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
PubChem CID142290260
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3cc4ccc5c6cccc7c8ccccc8n(c5c4cc32)c76)c1
InChIInChI=1S/C44H26N2/c1-2-14-31-27(10-1)11-8-17-32(31)28-12-7-13-30(24-28)45-40-20-5-4-16-34(40)39-25-29-22-23-37-36-19-9-18-35-33-15-3-6-21-41(33)46(43(35)36)44(37)38(29)26-42(39)45/h1-26H
InChIKeyJWBIFUQHBBSRBP-UHFFFAOYSA-N
XLogP11.91
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene with MolForge

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Related Compounds

12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
CID 146334636
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.022,27.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21(30),22,24,26,28,31(35),32-heptadecaene
CID 169057065
5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 154952653
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457

Frequently Asked Questions

What is the IUPAC name of 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene?
The IUPAC name of 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene (CID 142290260) is 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene.
What is the SMILES notation for 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene?
The canonical SMILES for 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene is c1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3cc4ccc5c6cccc7c8ccccc8n(c5c4cc32)c76)c1.
What is the InChIKey of 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene?
The InChIKey is JWBIFUQHBBSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-2-14-31-27(10-1)11-8-17-32(31)28-12-7-13-30(24-28)45-40-20-5-4-16-34(40)39-25-29-22-23-37-36-19-9-18-35-33-15-3-6-21-41(33)46(43(35)36)44(37)38(29)26-42(39)45/h1-26H.
What are the key properties of 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene?
6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene has a molecular weight of 582.71 g/mol, XLogP of 11.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene is sourced from PubChem (CID 142290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).