21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C25H16N2 — CID 144568642

IUPAC21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-n2c3cnccc3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C25H16N2/c1-2-8-17(9-3-1)27-23-16-26-15-14-22(23)24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)25(24)27/h1-16H
InChIKeyHQIDUODXHZGZGP-UHFFFAOYSA-N
MW344.42 g/mol
LogP6.49
Rot. Bonds1

About 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 144568642) has the molecular formula C25H16N2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID144568642
Molecular FormulaC25H16N2
Molecular Weight344.42 g/mol
Exact Mass344.13
IUPAC Name21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-n2c3cnccc3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C25H16N2/c1-2-8-17(9-3-1)27-23-16-26-15-14-22(23)24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)25(24)27/h1-16H
InChIKeyHQIDUODXHZGZGP-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

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CID 129221348
19-phenyl-3,7,10,13,19-pentazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4(9),5,7,11(16),12,14,18(26),20,22,24,27-tridecaene
CID 158405260
24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836837
17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130258843
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836997
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310
24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836782
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
24-phenyl-9-oxa-14,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836955
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691

Frequently Asked Questions

What is the IUPAC name of 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 144568642) is 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-n2c3cnccc3c3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is HQIDUODXHZGZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2/c1-2-8-17(9-3-1)27-23-16-26-15-14-22(23)24-20-12-6-4-10-18(20)19-11-5-7-13-21(19)25(24)27/h1-16H.
What are the key properties of 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 344.42 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 144568642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).