13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene

C32H18FN — CID 134398615

IUPAC13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
SMILESFc1ccc(-n2c3cc4c5c(cccc5c3c3ccc5ccccc5c32)-c2ccccc2-4)cc1
InChIInChI=1S/C32H18FN/c33-20-13-15-21(16-14-20)34-29-18-28-24-9-4-3-8-23(24)25-10-5-11-26(30(25)28)31(29)27-17-12-19-6-1-2-7-22(19)32(27)34/h1-18H
InChIKeyMEYHSNOQUJHMKA-UHFFFAOYSA-N
MW435.50 g/mol
LogP8.88
Rot. Bonds1

About 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene

13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene (PubChem CID 134398615) has the molecular formula C32H18FN and a molecular weight of 435.50 g/mol. Its IUPAC name is 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
PubChem CID134398615
Molecular FormulaC32H18FN
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC Name13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
SMILESFc1ccc(-n2c3cc4c5c(cccc5c3c3ccc5ccccc5c32)-c2ccccc2-4)cc1
InChIInChI=1S/C32H18FN/c33-20-13-15-21(16-14-20)34-29-18-28-24-9-4-3-8-23(24)25-10-5-11-26(30(25)28)31(29)27-17-12-19-6-1-2-7-22(19)32(27)34/h1-18H
InChIKeyMEYHSNOQUJHMKA-UHFFFAOYSA-N
XLogP8.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene with MolForge

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Related Compounds

13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
CID 134398598
17-(4-fluorophenyl)-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398479
13-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
CID 134398600
3-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 149096382
9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130452326
3-(3-fluoranthen-3-ylphenyl)-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118301096
12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-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;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158868113
9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304406
9-(4-fluoranthen-8-ylphenyl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580856
5-(7H-benzo[c]carbazol-10-yl)-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301025
11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109509
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

Frequently Asked Questions

What is the IUPAC name of 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene?
The IUPAC name of 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene (CID 134398615) is 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene is Fc1ccc(-n2c3cc4c5c(cccc5c3c3ccc5ccccc5c32)-c2ccccc2-4)cc1.
What is the InChIKey of 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene?
The InChIKey is MEYHSNOQUJHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FN/c33-20-13-15-21(16-14-20)34-29-18-28-24-9-4-3-8-23(24)25-10-5-11-26(30(25)28)31(29)27-17-12-19-6-1-2-7-22(19)32(27)34/h1-18H.
What are the key properties of 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene?
13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene has a molecular weight of 435.50 g/mol, XLogP of 8.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-fluorophenyl)-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 134398615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).