3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C38H23N3 — CID 160879482

IUPAC3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c3ccccc3n(-c3nc4c5c(cccc5n3)-c3ccccc3C4)c12
InChIInChI=1S/C38H23N3/c1-3-12-24-23(11-1)21-32-36-26(24)17-9-18-31(36)39-38(40-32)41-33-19-8-7-16-29(33)35-28-15-6-5-14-27(28)34-25-13-4-2-10-22(25)20-30(34)37(35)41/h1-19H,20-21H2
InChIKeyPCZTVJJHCHONQE-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.02
Rot. Bonds1

About 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 160879482) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID160879482
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c3ccccc3n(-c3nc4c5c(cccc5n3)-c3ccccc3C4)c12
InChIInChI=1S/C38H23N3/c1-3-12-24-23(11-1)21-32-36-26(24)17-9-18-31(36)39-38(40-32)41-33-19-8-7-16-29(33)35-28-15-6-5-14-27(28)34-25-13-4-2-10-22(25)20-30(34)37(35)41/h1-19H,20-21H2
InChIKeyPCZTVJJHCHONQE-UHFFFAOYSA-N
XLogP9.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

3-(7H-phenaleno[2,1-d]pyrimidin-9-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157221527
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 131999007
bromobenzene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7H-indeno[2,1-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-c]quinoline
CID 160811099
9,14-bis(9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130432276
9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine
CID 158061606
9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole
CID 159106229
3-phenyl-3,22,29,31-tetrazanonacyclo[18.15.0.02,10.04,9.011,19.012,17.021,29.023,28.030,35]pentatriaconta-1,4,6,8,10,12,14,16,19,21,23,25,27,30(35),31,33-hexadecaene
CID 162263025
22-(4,6-diphenylpyrimidin-2-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510233
11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-12H-indeno[2,1-a]carbazole
CID 158772071
18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 144725899
24-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 129297664
pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-3-carbaldehyde
CID 177323935

Frequently Asked Questions

What is the IUPAC name of 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 160879482) is 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc2c(c1)Cc1c-2c2ccccc2c2c3ccccc3n(-c3nc4c5c(cccc5n3)-c3ccccc3C4)c12.
What is the InChIKey of 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is PCZTVJJHCHONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c1-3-12-24-23(11-1)21-32-36-26(24)17-9-18-31(36)39-38(40-32)41-33-19-8-7-16-29(33)35-28-15-6-5-14-27(28)34-25-13-4-2-10-22(25)20-30(34)37(35)41/h1-19H,20-21H2.
What are the key properties of 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 521.62 g/mol, XLogP of 9.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160879482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).