14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

C25H15N — CID 162093408

IUPAC14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c1-c1c(ccc4c5ccccc5n-2c14)C3
InChIInChI=1S/C25H15N/c1-3-10-21-17(7-1)19-9-5-6-15-14-16-12-13-20-18-8-2-4-11-22(18)26(21)25(20)24(16)23(15)19/h1-13H,14H2
InChIKeyVEXBEUBJQWQPJN-UHFFFAOYSA-N
MW329.40 g/mol
LogP6.34
Rot. Bonds

About 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 162093408) has the molecular formula C25H15N and a molecular weight of 329.40 g/mol. Its IUPAC name is 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID162093408
Molecular FormulaC25H15N
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c1-c1c(ccc4c5ccccc5n-2c14)C3
InChIInChI=1S/C25H15N/c1-3-10-21-17(7-1)19-9-5-6-15-14-16-12-13-20-18-8-2-4-11-22(18)26(21)25(20)24(16)23(15)19/h1-13H,14H2
InChIKeyVEXBEUBJQWQPJN-UHFFFAOYSA-N
XLogP6.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
1-azanonacyclo[21.10.1.02,21.04,19.06,18.09,17.010,15.027,34.028,33]tetratriaconta-2,4(19),6(18),7,9(17),10,12,14,20,23(34),24,26,28,30,32-pentadecaene
CID 167548772
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
12-propan-2-yl-7H-indeno[1,2-a]carbazole
CID 129063021
1-azanonacyclo[20.11.1.02,21.03,18.04,16.07,15.09,14.026,34.028,33]tetratriaconta-2(21),3(18),4(16),5,7(15),9,11,13,19,22,24,26(34),28,30,32-pentadecaene
CID 167580378
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene
CID 167630756
26-azanonacyclo[17.14.1.02,17.03,15.06,14.08,13.020,25.026,34.027,32]tetratriaconta-1,3(15),4,6(14),8,10,12,17,19(34),20,22,24,27,29,31-pentadecaene
CID 167571725
24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 158281474
1-azanonacyclo[20.11.1.02,21.03,18.05,17.06,14.07,12.026,34.028,33]tetratriaconta-2(21),3(18),5(17),6(14),7,9,11,15,19,22,24,26(34),28,30,32-pentadecaene
CID 167575088
1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane
CID 167590703

Frequently Asked Questions

What is the IUPAC name of 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (CID 162093408) is 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc2c(c1)-c1cccc3c1-c1c(ccc4c5ccccc5n-2c14)C3.
What is the InChIKey of 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is VEXBEUBJQWQPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N/c1-3-10-21-17(7-1)19-9-5-6-15-14-16-12-13-20-18-8-2-4-11-22(18)26(21)25(20)24(16)23(15)19/h1-13H,14H2.
What are the key properties of 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 329.40 g/mol, XLogP of 6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 162093408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).