9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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

C51H34N2 — CID 153399354

IUPAC9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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
SMILESC=C/C=C\C=C/Cc1cccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5c(c4)-c4cccc6cccc-5c46)c32)c1
InChIInChI=1S/C51H34N2/c1-2-3-4-5-6-16-33-17-13-20-35(31-33)53-45-27-11-9-23-42(45)48-39-21-7-8-22-41(39)50-49(51(48)53)43-24-10-12-28-46(43)52(50)36-29-30-37-38-25-14-18-34-19-15-26-40(47(34)38)44(37)32-36/h2-15,17-32H,1,16H2/b4-3-,6-5-
InChIKeyYKSAOCYLSOKCRT-OUPQRBNQSA-N
MW674.85 g/mol
LogP13.68
Rot. Bonds6

About 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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

9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 (PubChem CID 153399354) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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.

Molecular Properties

Compound Name9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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
PubChem CID153399354
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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
SMILESC=C/C=C\C=C/Cc1cccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5c(c4)-c4cccc6cccc-5c46)c32)c1
InChIInChI=1S/C51H34N2/c1-2-3-4-5-6-16-33-17-13-20-35(31-33)53-45-27-11-9-23-42(45)48-39-21-7-8-22-41(39)50-49(51(48)53)43-24-10-12-28-46(43)52(50)36-29-30-37-38-25-14-18-34-19-15-26-40(47(34)38)44(37)32-36/h2-15,17-32H,1,16H2/b4-3-,6-5-
InChIKeyYKSAOCYLSOKCRT-OUPQRBNQSA-N
XLogP13.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-fluoranthen-3-yl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(3-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(4-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 159499237
21-(3-fluoranthen-2-ylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 130294987
24-fluoranthen-8-yl-9-naphthalen-2-yl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
CID 164836905
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
15-fluoranthen-8-yl-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678050
15-fluoranthen-8-yl-18-(3-phenylphenyl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126678156
9-(3-fluoranthen-2-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299028
21-(6-fluoranthen-2-ylnaphthalen-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 130295148
9-(3-naphthalen-1-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299053
9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
CID 144541203
15-fluoranthen-8-yl-18-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680212
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292

Frequently Asked Questions

What is the IUPAC name of 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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?
The IUPAC name of 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 153399354) is 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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.
What is the SMILES notation for 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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?
The canonical SMILES for 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 is C=C/C=C\C=C/Cc1cccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5c(c4)-c4cccc6cccc-5c46)c32)c1.
What is the InChIKey of 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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?
The InChIKey is YKSAOCYLSOKCRT-OUPQRBNQSA-N. The full InChI is InChI=1S/C51H34N2/c1-2-3-4-5-6-16-33-17-13-20-35(31-33)53-45-27-11-9-23-42(45)48-39-21-7-8-22-41(39)50-49(51(48)53)43-24-10-12-28-46(43)52(50)36-29-30-37-38-25-14-18-34-19-15-26-40(47(34)38)44(37)32-36/h2-15,17-32H,1,16H2/b4-3-,6-5-.
What are the key properties of 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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?
9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 has a molecular weight of 674.85 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoranthen-8-yl-24-[3-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-9,24-diazahexacyclo[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 is sourced from PubChem (CID 153399354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).