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

C47H27N3 — CID 164836905

IUPAC24-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
SMILESc1ccc2cc(-n3c4ccccc4c4c3c3ncccc3c3c5ccccc5n(-c5ccc6c(c5)-c5cccc7cccc-6c57)c34)ccc2c1
InChIInChI=1S/C47H27N3/c1-2-11-30-26-31(22-21-28(30)10-1)50-41-20-6-4-15-37(41)44-46-43(38-18-9-25-48-45(38)47(44)50)36-14-3-5-19-40(36)49(46)32-23-24-33-34-16-7-12-29-13-8-17-35(42(29)34)39(33)27-32/h1-27H
InChIKeyNXHXZKNITNFXRN-UHFFFAOYSA-N
MW633.75 g/mol
LogP12.38
Rot. Bonds2

About 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

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 (PubChem CID 164836905) has the molecular formula C47H27N3 and a molecular weight of 633.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name24-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
PubChem CID164836905
Molecular FormulaC47H27N3
Molecular Weight633.75 g/mol
Exact Mass633.22
IUPAC Name24-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
SMILESc1ccc2cc(-n3c4ccccc4c4c3c3ncccc3c3c5ccccc5n(-c5ccc6c(c5)-c5cccc7cccc-6c57)c34)ccc2c1
InChIInChI=1S/C47H27N3/c1-2-11-30-26-31(22-21-28(30)10-1)50-41-20-6-4-15-37(41)44-46-43(38-18-9-25-48-45(38)47(44)50)36-14-3-5-19-40(36)49(46)32-23-24-33-34-16-7-12-29-13-8-17-35(42(29)34)39(33)27-32/h1-27H
InChIKeyNXHXZKNITNFXRN-UHFFFAOYSA-N
XLogP12.38
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.75
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158495534
9-(9-naphthalen-2-ylcarbazol-1-yl)-5-phenylpyrido[3,2-b]indole
CID 129221541
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
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170244542
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
24-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-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 164836951
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
27-phenyl-5,27-diazaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22(26),23-tridecaene
CID 139547272
10-(1,10-phenanthrolin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565042
15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 126678003
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(-n3c4ccccc4c4c3c3ncccc3c3c5ccccc5n(-c5ccc6c(c5)-c5cccc7cccc-6c57)c34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is NXHXZKNITNFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3/c1-2-11-30-26-31(22-21-28(30)10-1)50-41-20-6-4-15-37(41)44-46-43(38-18-9-25-48-45(38)47(44)50)36-14-3-5-19-40(36)49(46)32-23-24-33-34-16-7-12-29-13-8-17-35(42(29)34)39(33)27-32/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 633.75 g/mol, XLogP of 12.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164836905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).