14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

C39H23N3 — CID 146390498

IUPAC14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5ccccc5-n5c4nc4c6ccccc6ccc45)ccc-2c13
InChIInChI=1S/C39H23N3/c1-2-11-25-24(10-1)20-22-36-38(25)40-39-41(33-18-7-5-14-28(33)29-15-6-8-19-34(29)42(36)39)35-23-21-31-27-13-4-3-12-26(27)30-16-9-17-32(35)37(30)31/h1-23H
InChIKeyZJIKUKZDQKMPNK-UHFFFAOYSA-N
MW533.63 g/mol
LogP10.43
Rot. Bonds1

About 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (PubChem CID 146390498) has the molecular formula C39H23N3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

Molecular Properties

Compound Name14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
PubChem CID146390498
Molecular FormulaC39H23N3
Molecular Weight533.63 g/mol
Exact Mass533.19
IUPAC Name14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5ccccc5-n5c4nc4c6ccccc6ccc45)ccc-2c13
InChIInChI=1S/C39H23N3/c1-2-11-25-24(10-1)20-22-36-38(25)40-39-41(33-18-7-5-14-28(33)29-15-6-8-19-34(29)42(36)39)35-23-21-31-27-13-4-3-12-26(27)30-16-9-17-32(35)37(30)31/h1-23H
InChIKeyZJIKUKZDQKMPNK-UHFFFAOYSA-N
XLogP10.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene with MolForge

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Related Compounds

14-(7H-benzo[e]perimidin-2-yl)-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397379
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene
CID 146390402
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 162037057
14-[4-(3-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397343
14-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390335
14-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[4-(3-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 158487521
9-fluoranthen-3-yl-24-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 146341837
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
12-[2-(2-chlorophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 170664600
8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667503

Frequently Asked Questions

What is the IUPAC name of 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?
The IUPAC name of 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (CID 146390498) is 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.
What is the SMILES notation for 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?
The canonical SMILES for 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is c1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5ccccc5-n5c4nc4c6ccccc6ccc45)ccc-2c13.
What is the InChIKey of 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?
The InChIKey is ZJIKUKZDQKMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3/c1-2-11-25-24(10-1)20-22-36-38(25)40-39-41(33-18-7-5-14-28(33)29-15-6-8-19-34(29)42(36)39)35-23-21-31-27-13-4-3-12-26(27)30-16-9-17-32(35)37(30)31/h1-23H.
What are the key properties of 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?
14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene has a molecular weight of 533.63 g/mol, XLogP of 10.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is sourced from PubChem (CID 146390498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).