1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine

C84H74N16 — CID 176881688

IUPAC1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine
SMILESCc1ccnc(C)c1N(c1c(C)nc2ncccc2c1C)c1cc(N(c2c(C)ccnc2C)c2c(C)nc3ncccc3c2C)c2ccc3c(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)cc(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)c4ccc1c2c43
InChIInChI=1S/C84H74N16/c1-43-29-37-85-51(9)73(43)97(77-47(5)59-21-17-33-89-81(59)93-55(77)13)67-41-68(98(74-44(2)30-38-86-52(74)10)78-48(6)60-22-18-34-90-82(60)94-56(78)14)64-27-28-66-70(100(76-46(4)32-40-88-54(76)12)80-50(8)62-24-20-36-92-84(62)96-58(80)16)42-69(65-26-25-63(67)71(64)72(65)66)99(75-45(3)31-39-87-53(75)11)79-49(7)61-23-19-35-91-83(61)95-57(79)15/h17-42H,1-16H3
InChIKeyHGMMUZWFQDVFER-UHFFFAOYSA-N
MW1307.63 g/mol
LogP20.75
Rot. Bonds12

About 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine

1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine (PubChem CID 176881688) has the molecular formula C84H74N16 and a molecular weight of 1307.63 g/mol. Its IUPAC name is 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine.

Molecular Properties

Compound Name1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine
PubChem CID176881688
Molecular FormulaC84H74N16
Molecular Weight1307.63 g/mol
Exact Mass1306.63
IUPAC Name1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine
SMILESCc1ccnc(C)c1N(c1c(C)nc2ncccc2c1C)c1cc(N(c2c(C)ccnc2C)c2c(C)nc3ncccc3c2C)c2ccc3c(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)cc(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)c4ccc1c2c43
InChIInChI=1S/C84H74N16/c1-43-29-37-85-51(9)73(43)97(77-47(5)59-21-17-33-89-81(59)93-55(77)13)67-41-68(98(74-44(2)30-38-86-52(74)10)78-48(6)60-22-18-34-90-82(60)94-56(78)14)64-27-28-66-70(100(76-46(4)32-40-88-54(76)12)80-50(8)62-24-20-36-92-84(62)96-58(80)16)42-69(65-26-25-63(67)71(64)72(65)66)99(75-45(3)31-39-87-53(75)11)79-49(7)61-23-19-35-91-83(61)95-57(79)15/h17-42H,1-16H3
InChIKeyHGMMUZWFQDVFER-UHFFFAOYSA-N
XLogP20.75
TPSA167.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.63
LogP ≤ 520.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine with MolForge

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Related Compounds

1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,4-dimethyl-1,8-naphthyridin-3-yl)pyrene-1,3,6,8-tetramine
CID 176876752
1-N,3-N,6-N,8-N-tetrakis(4-tert-butylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine
CID 176876788
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,4-diethyl-1,8-naphthyridin-3-yl)pyrene-1,3,6,8-tetramine
CID 176876833
1-N,3-N,6-N,8-N-tetrakis(3-methyl-1,5-naphthyridin-4-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176876488
ethane;4-methyl-1,8-naphthyridine
CID 143124676
1-N,3-N,6-N,8-N-tetrakis(3,5-ditert-butyl-2,6-dimethylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,6-dimethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876553
1-N,3-N,6-N,8-N-tetrakis(2-methylphenyl)-3-N-quinolin-5-yl-1-N,6-N,8-N-tri(quinoxalin-5-yl)pyrene-1,3,6,8-tetramine
CID 176881193
3,8-difluoro-1-N,1-N,6-N,6-N-tetrakis(1,8-naphthyridin-3-yl)pyrene-1,6-diamine
CID 176881287
1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,3-N,3-N,6-N,8-N,8-N-hexapyridin-2-ylpyrene-1,3,6,8-tetramine
CID 59309082
4-methyl-1,8-naphthyridin-2-amine
CID 23008692
N-(6-tert-butylpyren-1-yl)-N-(1,8-naphthyridin-4-yl)-1,8-naphthyridin-4-amine
CID 176881279
1-N,3-N,6-N,8-N-tetrakis(2-ethyl-3-pyridinyl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176881349

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine?
The IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine (CID 176881688) is 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine.
What is the SMILES notation for 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine?
The canonical SMILES for 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine is Cc1ccnc(C)c1N(c1c(C)nc2ncccc2c1C)c1cc(N(c2c(C)ccnc2C)c2c(C)nc3ncccc3c2C)c2ccc3c(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)cc(N(c4c(C)ccnc4C)c4c(C)nc5ncccc5c4C)c4ccc1c2c43.
What is the InChIKey of 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine?
The InChIKey is HGMMUZWFQDVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H74N16/c1-43-29-37-85-51(9)73(43)97(77-47(5)59-21-17-33-89-81(59)93-55(77)13)67-41-68(98(74-44(2)30-38-86-52(74)10)78-48(6)60-22-18-34-90-82(60)94-56(78)14)64-27-28-66-70(100(76-46(4)32-40-88-54(76)12)80-50(8)62-24-20-36-92-84(62)96-58(80)16)42-69(65-26-25-63(67)71(64)72(65)66)99(75-45(3)31-39-87-53(75)11)79-49(7)61-23-19-35-91-83(61)95-57(79)15/h17-42H,1-16H3.
What are the key properties of 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine?
1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine has a molecular weight of 1307.63 g/mol, XLogP of 20.75, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-1,8-naphthyridin-3-yl)-1-N,3-N,6-N,8-N-tetrakis(2,4-dimethyl-3-pyridinyl)pyrene-1,3,6,8-tetramine is sourced from PubChem (CID 176881688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).