29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene

C36H20N4 — CID 118930871

IUPAC29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5c6ccccc6cc6c7nc8ccccc8nc7n(c4ccc32)c65)cc1
InChIInChI=1S/C36H20N4/c1-2-11-22(12-3-1)39-28-17-9-6-14-24(28)31-29(39)18-19-30-33(31)32-23-13-5-4-10-21(23)20-25-34-36(40(30)35(25)32)38-27-16-8-7-15-26(27)37-34/h1-20H
InChIKeyUJPASSDTQYZYHX-UHFFFAOYSA-N
MW508.58 g/mol
LogP9.03
Rot. Bonds1

About 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene

29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene (PubChem CID 118930871) has the molecular formula C36H20N4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene.

Molecular Properties

Compound Name29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene
PubChem CID118930871
Molecular FormulaC36H20N4
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5c6ccccc6cc6c7nc8ccccc8nc7n(c4ccc32)c65)cc1
InChIInChI=1S/C36H20N4/c1-2-11-22(12-3-1)39-28-17-9-6-14-24(28)31-29(39)18-19-30-33(31)32-23-13-5-4-10-21(23)20-25-34-36(40(30)35(25)32)38-27-16-8-7-15-26(27)37-34/h1-20H
InChIKeyUJPASSDTQYZYHX-UHFFFAOYSA-N
XLogP9.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene with MolForge

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Related Compounds

25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129274548
9-phenyl-21-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 126577852
14-dibenzothiophen-2-yl-25-phenyl-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129274547
21-(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)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577842
21-(7-phenylbenzo[g]carbazol-9-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577794
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
7-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6(11),7,9,12(40),13,15,18,21(30),22,24,26,28,31(39),32,34,36-nonadecaene
CID 169056375
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
22-(9-phenylcarbazol-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577807
10,33-diphenyl-10,15,22,33-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
CID 159338083
21-(3,5-diphenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-naphthalen-2-yl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-(4-phenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-phenyl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene
CID 161051711
14-(9-phenylcarbazol-3-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),13,15,17,19,21,23,25-tridecaene
CID 126577968

Frequently Asked Questions

What is the IUPAC name of 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene?
The IUPAC name of 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene (CID 118930871) is 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene.
What is the SMILES notation for 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene?
The canonical SMILES for 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene is c1ccc(-n2c3ccccc3c3c4c5c6ccccc6cc6c7nc8ccccc8nc7n(c4ccc32)c65)cc1.
What is the InChIKey of 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene?
The InChIKey is UJPASSDTQYZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4/c1-2-11-22(12-3-1)39-28-17-9-6-14-24(28)31-29(39)18-19-30-33(31)32-23-13-5-4-10-21(23)20-25-34-36(40(30)35(25)32)38-27-16-8-7-15-26(27)37-34/h1-20H.
What are the key properties of 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene?
29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene has a molecular weight of 508.58 g/mol, XLogP of 9.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene is sourced from PubChem (CID 118930871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).