9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene

C51H34N2 — CID 153399319

IUPAC9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene
SMILESCC1C=Cc2c(c3c(ccc4c5ccc6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c43)n2-c2ccc3c(c2)-c2cccc4cccc-3c24)C1
InChIInChI=1S/C51H34N2/c1-31-17-27-46-45(29-31)49-47(52(46)37-23-25-39-40-15-7-12-35-13-8-16-41(48(35)40)44(39)30-37)28-26-43-42-24-20-34-11-5-6-14-38(34)50(42)53(51(43)49)36-21-18-33(19-22-36)32-9-3-2-4-10-32/h2-28,30-31H,29H2,1H3
InChIKeyICSLTGUXJGEGRN-UHFFFAOYSA-N
MW674.85 g/mol
LogP13.55
Rot. Bonds3

About 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene

9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene (PubChem CID 153399319) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene.

Molecular Properties

Compound Name9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene
PubChem CID153399319
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene
SMILESCC1C=Cc2c(c3c(ccc4c5ccc6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c43)n2-c2ccc3c(c2)-c2cccc4cccc-3c24)C1
InChIInChI=1S/C51H34N2/c1-31-17-27-46-45(29-31)49-47(52(46)37-23-25-39-40-15-7-12-35-13-8-16-41(48(35)40)44(39)30-37)28-26-43-42-24-20-34-11-5-6-14-38(34)50(42)53(51(43)49)36-21-18-33(19-22-36)32-9-3-2-4-10-32/h2-28,30-31H,29H2,1H3
InChIKeyICSLTGUXJGEGRN-UHFFFAOYSA-N
XLogP13.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene with MolForge

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Related Compounds

8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
8-[9-[2-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;11-[3-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157052314
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
11-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326452
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321
9-[9-(5-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-(5-fluoranthen-8-ylnaphthalen-1-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(5-fluoranthen-8-ylnaphthalen-1-yl)-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole;8-[9-[4-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 159232477

Frequently Asked Questions

What is the IUPAC name of 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene?
The IUPAC name of 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene (CID 153399319) is 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene.
What is the SMILES notation for 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene?
The canonical SMILES for 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene is CC1C=Cc2c(c3c(ccc4c5ccc6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c43)n2-c2ccc3c(c2)-c2cccc4cccc-3c24)C1.
What is the InChIKey of 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene?
The InChIKey is ICSLTGUXJGEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-31-17-27-46-45(29-31)49-47(52(46)37-23-25-39-40-15-7-12-35-13-8-16-41(48(35)40)44(39)30-37)28-26-43-42-24-20-34-11-5-6-14-38(34)50(42)53(51(43)49)36-21-18-33(19-22-36)32-9-3-2-4-10-32/h2-28,30-31H,29H2,1H3.
What are the key properties of 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene?
9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene has a molecular weight of 674.85 g/mol, XLogP of 13.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoranthen-8-yl-5-methyl-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),6,11,14(23),15,17,19,21-decaene is sourced from PubChem (CID 153399319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).