6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine

C130H83F3N12 — CID 159842642

IUPAC6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine
SMILESFc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ccncn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4cnccn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ncc5ccccc5n4)ccc4ccc1c2c43
InChIInChI=1S/C46H29FN4.2C42H27FN4/c47-39-15-7-9-17-43(39)50(35-13-2-1-3-14-35)41-26-21-31-20-25-38-42(27-22-32-19-24-37(41)44(31)45(32)38)51(36-23-18-30-10-4-5-11-33(30)28-36)46-48-29-34-12-6-8-16-40(34)49-46;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-27-44-24-25-45-40)33-19-14-28-8-4-5-9-31(28)26-33;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-24-25-44-27-45-40)33-19-14-28-8-4-5-9-31(28)26-33/h1-29H;2*1-27H
InChIKeyNOWKTWANXVERLD-UHFFFAOYSA-N
MW1870.17 g/mol
LogP35.97
Rot. Bonds18

About 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine

6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine (PubChem CID 159842642) has the molecular formula C130H83F3N12 and a molecular weight of 1870.17 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine
PubChem CID159842642
Molecular FormulaC130H83F3N12
Molecular Weight1870.17 g/mol
Exact Mass1868.68
IUPAC Name6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine
SMILESFc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ccncn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4cnccn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ncc5ccccc5n4)ccc4ccc1c2c43
InChIInChI=1S/C46H29FN4.2C42H27FN4/c47-39-15-7-9-17-43(39)50(35-13-2-1-3-14-35)41-26-21-31-20-25-38-42(27-22-32-19-24-37(41)44(31)45(32)38)51(36-23-18-30-10-4-5-11-33(30)28-36)46-48-29-34-12-6-8-16-40(34)49-46;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-27-44-24-25-45-40)33-19-14-28-8-4-5-9-31(28)26-33;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-24-25-44-27-45-40)33-19-14-28-8-4-5-9-31(28)26-33/h1-29H;2*1-27H
InChIKeyNOWKTWANXVERLD-UHFFFAOYSA-N
XLogP35.97
TPSA96.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.17
LogP ≤ 535.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine with MolForge

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Related Compounds

4-(N-[6-(N-pyrimidin-4-ylanilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-quinazolin-2-ylanilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-quinazolin-4-ylanilino)pyren-1-yl]anilino)benzonitrile
CID 159943835
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-3-ylpyrene-1,6-diamine
CID 158424181
6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-1-N-(1,10-phenanthrolin-2-yl)-6-N-phenylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinolin-2-ylpyrene-1,6-diamine;4-(N-[6-(N-pyridin-2-ylanilino)pyren-1-yl]anilino)benzonitrile
CID 157321813
3-N-phenyl-1-N,1-N,3-N,6-N,6-N,8-N,8-N-hepta(pyrazin-2-yl)pyrene-1,3,6,8-tetramine
CID 176881463
3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine
CID 160739147
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
CID 90756676
N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
CID 176881180
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
1-N,6-N-bis(2,5-difluoro-4-naphthalen-2-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099474
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N-(1-phenylnaphthalen-2-yl)-1-N-pyrimidin-4-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177073687

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine (CID 159842642) is 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine is Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ccncn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4cnccn4)ccc4ccc1c2c43.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccc5ccccc5c4)c4ncc5ccccc5n4)ccc4ccc1c2c43.
What is the InChIKey of 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine?
The InChIKey is NOWKTWANXVERLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29FN4.2C42H27FN4/c47-39-15-7-9-17-43(39)50(35-13-2-1-3-14-35)41-26-21-31-20-25-38-42(27-22-32-19-24-37(41)44(31)45(32)38)51(36-23-18-30-10-4-5-11-33(30)28-36)46-48-29-34-12-6-8-16-40(34)49-46;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-27-44-24-25-45-40)33-19-14-28-8-4-5-9-31(28)26-33;43-36-12-6-7-13-39(36)46(32-10-2-1-3-11-32)37-22-17-29-16-21-35-38(23-18-30-15-20-34(37)41(29)42(30)35)47(40-24-25-44-27-45-40)33-19-14-28-8-4-5-9-31(28)26-33/h1-29H;2*1-27H.
What are the key properties of 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine?
6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine has a molecular weight of 1870.17 g/mol, XLogP of 35.97, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine is sourced from PubChem (CID 159842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).