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

C84H90N8 — CID 176876788

IUPAC1-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
SMILESCc1ccnc(C)c1N(c1ccc(C(C)(C)C)cc1)c1cc(N(c2ccc(C(C)(C)C)cc2)c2c(C)ccnc2C)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)cc(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)c4ccc1c2c43
InChIInChI=1S/C84H90N8/c1-51-41-45-85-55(5)77(51)89(63-29-21-59(22-30-63)81(9,10)11)71-49-72(90(78-52(2)42-46-86-56(78)6)64-31-23-60(24-32-64)82(12,13)14)68-39-40-70-74(92(80-54(4)44-48-88-58(80)8)66-35-27-62(28-36-66)84(18,19)20)50-73(69-38-37-67(71)75(68)76(69)70)91(79-53(3)43-47-87-57(79)7)65-33-25-61(26-34-65)83(15,16)17/h21-50H,1-20H3
InChIKeyCVKPSRZPBVUBJD-UHFFFAOYSA-N
MW1211.70 g/mol
LogP23.70
Rot. Bonds12

About 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

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 (PubChem CID 176876788) has the molecular formula C84H90N8 and a molecular weight of 1211.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID176876788
Molecular FormulaC84H90N8
Molecular Weight1211.70 g/mol
Exact Mass1210.73
IUPAC Name1-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
SMILESCc1ccnc(C)c1N(c1ccc(C(C)(C)C)cc1)c1cc(N(c2ccc(C(C)(C)C)cc2)c2c(C)ccnc2C)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)cc(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)c4ccc1c2c43
InChIInChI=1S/C84H90N8/c1-51-41-45-85-55(5)77(51)89(63-29-21-59(22-30-63)81(9,10)11)71-49-72(90(78-52(2)42-46-86-56(78)6)64-31-23-60(24-32-64)82(12,13)14)68-39-40-70-74(92(80-54(4)44-48-88-58(80)8)66-35-27-62(28-36-66)84(18,19)20)50-73(69-38-37-67(71)75(68)76(69)70)91(79-53(3)43-47-87-57(79)7)65-33-25-61(26-34-65)83(15,16)17/h21-50H,1-20H3
InChIKeyCVKPSRZPBVUBJD-UHFFFAOYSA-N
XLogP23.70
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.70
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 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(4-tert-butylphenyl)pyrene-1,3,6,8-tetramine
CID 167403972
1-N,3-N,6-N,8-N-tetrakis(3,5-ditert-butylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,6-dimethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876913
1-N,3-N,6-N,8-N-tetrakis(4-tert-butylphenyl)-1-N,3-N,6-N,8-N-tetrakis(5-methylpyrimidin-4-yl)pyrene-1,3,6,8-tetramine
CID 176876733
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
1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)pyrene-1,3-diamine
CID 146497193
1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,3,4,5,6-pentamethylphenyl)pyrene-1,3,6,8-tetramine
CID 59309194
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
1-N,6-N-bis(4-tert-butylphenyl)-3,8-bis(4-methylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383913
7-tert-butyl-1-N,3-N-bis(2,6-dimethyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062877
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
7-tert-butyl-4-methylquinoline
CID 176586336
N,N-bis(4-tert-butylphenyl)-4-(4,7-dimethyl-1,10-phenanthrolin-3-yl)aniline
CID 141326767

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(C)c1N(c1ccc(C(C)(C)C)cc1)c1cc(N(c2ccc(C(C)(C)C)cc2)c2c(C)ccnc2C)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)cc(N(c4ccc(C(C)(C)C)cc4)c4c(C)ccnc4C)c4ccc1c2c43.
What is the InChIKey of 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?
The InChIKey is CVKPSRZPBVUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H90N8/c1-51-41-45-85-55(5)77(51)89(63-29-21-59(22-30-63)81(9,10)11)71-49-72(90(78-52(2)42-46-86-56(78)6)64-31-23-60(24-32-64)82(12,13)14)68-39-40-70-74(92(80-54(4)44-48-88-58(80)8)66-35-27-62(28-36-66)84(18,19)20)50-73(69-38-37-67(71)75(68)76(69)70)91(79-53(3)43-47-87-57(79)7)65-33-25-61(26-34-65)83(15,16)17/h21-50H,1-20H3.
What are the key properties of 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?
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 has a molecular weight of 1211.70 g/mol, XLogP of 23.70, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176876788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).