6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C42H25N — CID 130295347

IUPAC6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc(-n2c3cc4ccccc4cc3c3cc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4cc32)cc1
InChIInChI=1S/C42H25N/c1-2-12-33(13-3-1)43-40-24-27-10-5-4-9-26(27)21-37(40)38-22-31-19-28(17-18-29(31)25-41(38)43)32-20-30-11-8-16-36-34-14-6-7-15-35(34)39(23-32)42(30)36/h1-25H
InChIKeyLNWDTXOXIDSAAV-UHFFFAOYSA-N
MW543.67 g/mol
LogP11.56
Rot. Bonds2

About 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 130295347) has the molecular formula C42H25N and a molecular weight of 543.67 g/mol. Its IUPAC name is 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

Compound Name6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
PubChem CID130295347
Molecular FormulaC42H25N
Molecular Weight543.67 g/mol
Exact Mass543.20
IUPAC Name6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc(-n2c3cc4ccccc4cc3c3cc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4cc32)cc1
InChIInChI=1S/C42H25N/c1-2-12-33(13-3-1)43-40-24-27-10-5-4-9-26(27)21-37(40)38-22-31-19-28(17-18-29(31)25-41(38)43)32-20-30-11-8-16-36-34-14-6-7-15-35(34)39(23-32)42(30)36/h1-25H
InChIKeyLNWDTXOXIDSAAV-UHFFFAOYSA-N
XLogP11.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene 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

2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
CID 130295208
2-[7-(4-fluoranthen-2-ylphenyl)benzo[c]carbazol-10-yl]-5-phenylbenzo[b]carbazole
CID 130295051
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130295046
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylbenzo[b]carbazole
CID 170037476
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;10-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7-(6-fluoranthen-2-ylnaphthalen-2-yl)-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 158425767

Frequently Asked Questions

What is the IUPAC name of 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 130295347) is 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-n2c3cc4ccccc4cc3c3cc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4cc32)cc1.
What is the InChIKey of 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is LNWDTXOXIDSAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N/c1-2-12-33(13-3-1)43-40-24-27-10-5-4-9-26(27)21-37(40)38-22-31-19-28(17-18-29(31)25-41(38)43)32-20-30-11-8-16-36-34-14-6-7-15-35(34)39(23-32)42(30)36/h1-25H.
What are the key properties of 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 543.67 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 130295347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).