25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene

C36H24N4 — CID 144995510

IUPAC25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene
SMILESC1=CC2=C(CC1)N=C1c3cc4ccccc4c4c5ccc6c(c7ccccc7n6-c6ccccc6)c5n(c34)C1N2
InChIInChI=1S/C36H24N4/c1-2-11-22(12-3-1)39-29-17-9-6-14-24(29)32-30(39)19-18-25-31-23-13-5-4-10-21(23)20-26-33-36(40(34(25)32)35(26)31)38-28-16-8-7-15-27(28)37-33/h1-6,8-14,16-20,36,38H,7,15H2
InChIKeyFJBYISLNJKEXBY-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.51
Rot. Bonds1

About 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene

25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene (PubChem CID 144995510) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene.

Molecular Properties

Compound Name25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene
PubChem CID144995510
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene
SMILESC1=CC2=C(CC1)N=C1c3cc4ccccc4c4c5ccc6c(c7ccccc7n6-c6ccccc6)c5n(c34)C1N2
InChIInChI=1S/C36H24N4/c1-2-11-22(12-3-1)39-29-17-9-6-14-24(29)32-30(39)19-18-25-31-23-13-5-4-10-21(23)20-26-33-36(40(34(25)32)35(26)31)38-28-16-8-7-15-27(28)37-33/h1-6,8-14,16-20,36,38H,7,15H2
InChIKeyFJBYISLNJKEXBY-UHFFFAOYSA-N
XLogP8.51
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene with MolForge

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Related Compounds

25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene
CID 144995538
14-(5-phenylbenzo[b]carbazol-2-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23-dodecaene
CID 165089988
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
24-methyl-9-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 126632596
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
14-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-4,6,8,10,12,14,16(27),17,19,21,23,25-dodecaene
CID 147463926
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
12-[4-(3,4-dihydrocarbazol-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162363085

Frequently Asked Questions

What is the IUPAC name of 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene?
The IUPAC name of 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene (CID 144995510) is 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene.
What is the SMILES notation for 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene?
The canonical SMILES for 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene is C1=CC2=C(CC1)N=C1c3cc4ccccc4c4c5ccc6c(c7ccccc7n6-c6ccccc6)c5n(c34)C1N2.
What is the InChIKey of 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene?
The InChIKey is FJBYISLNJKEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-2-11-22(12-3-1)39-29-17-9-6-14-24(29)32-30(39)19-18-25-31-23-13-5-4-10-21(23)20-26-33-36(40(34(25)32)35(26)31)38-28-16-8-7-15-27(28)37-33/h1-6,8-14,16-20,36,38H,7,15H2.
What are the key properties of 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene?
25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene has a molecular weight of 512.62 g/mol, XLogP of 8.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-4(9),5,10,12,14,16,18,20(34),21(33),22,24(32),26,28,30-tetradecaene is sourced from PubChem (CID 144995510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).