19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene

C27H19N3 — CID 129183826

IUPAC19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene
SMILESc1ccc(N2NCc3c2ccc2[nH]c4c5ccc6ccccc6c5ccc4c32)cc1
InChIInChI=1S/C27H19N3/c1-2-7-18(8-3-1)30-25-15-14-24-26(23(25)16-28-30)22-13-12-20-19-9-5-4-6-17(19)10-11-21(20)27(22)29-24/h1-15,28-29H,16H2
InChIKeyYZHRFHIKAXHAEX-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.78
Rot. Bonds1

About 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene

19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene (PubChem CID 129183826) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene.

Molecular Properties

Compound Name19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene
PubChem CID129183826
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene
SMILESc1ccc(N2NCc3c2ccc2[nH]c4c5ccc6ccccc6c5ccc4c32)cc1
InChIInChI=1S/C27H19N3/c1-2-7-18(8-3-1)30-25-15-14-24-26(23(25)16-28-30)22-13-12-20-19-9-5-4-6-17(19)10-11-21(20)27(22)29-24/h1-15,28-29H,16H2
InChIKeyYZHRFHIKAXHAEX-UHFFFAOYSA-N
XLogP6.78
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene with MolForge

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Related Compounds

16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
ethane;17,26,39-triazadecacyclo[19.18.0.02,18.03,16.04,9.010,15.022,38.025,37.027,36.028,33]nonatriaconta-1(21),2(18),3(16),4,6,8,10,12,14,19,22(38),23,25(37),27(36),28,30,32,34-octadecaene
CID 145347824
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene;1H-indole
CID 161231116
7-phenyl-11H-benzo[a]carbazole
CID 166849770
5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole
CID 129183300
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 149000939
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341842
8-chloro-7H-benzo[c]carbazole
CID 146616838

Frequently Asked Questions

What is the IUPAC name of 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene?
The IUPAC name of 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene (CID 129183826) is 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene.
What is the SMILES notation for 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene?
The canonical SMILES for 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene is c1ccc(N2NCc3c2ccc2[nH]c4c5ccc6ccccc6c5ccc4c32)cc1.
What is the InChIKey of 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene?
The InChIKey is YZHRFHIKAXHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-2-7-18(8-3-1)30-25-15-14-24-26(23(25)16-28-30)22-13-12-20-19-9-5-4-6-17(19)10-11-21(20)27(22)29-24/h1-15,28-29H,16H2.
What are the key properties of 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene?
19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene has a molecular weight of 385.47 g/mol, XLogP of 6.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene is sourced from PubChem (CID 129183826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).