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

C36H22N4 — CID 144995538

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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3ccccc3cc3c2n4C2=Nc4ccccc4NC23)cc1
InChIInChI=1S/C36H22N4/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/h1-20,33,37H
InChIKeyFLPSYYQDNGNWGY-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.10
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene

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 (PubChem CID 144995538) has the molecular formula C36H22N4 and a molecular weight of 510.60 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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene.

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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene
PubChem CID144995538
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3ccccc3cc3c2n4C2=Nc4ccccc4NC23)cc1
InChIInChI=1S/C36H22N4/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/h1-20,33,37H
InChIKeyFLPSYYQDNGNWGY-UHFFFAOYSA-N
XLogP9.10
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.10
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene with MolForge

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Related Compounds

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CID 145027919
16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene
CID 163412050
3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 145055841
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
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
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 137209288
9,24-bis(4-phenylphenyl)-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 146253453
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
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510

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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene?
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene (CID 144995538) 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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene.
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene?
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3ccccc3cc3c2n4C2=Nc4ccccc4NC23)cc1.
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene?
The InChIKey is FLPSYYQDNGNWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/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/h1-20,33,37H.
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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene?
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 has a molecular weight of 510.60 g/mol, XLogP of 9.10, 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-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 144995538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).