1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C242H328N6Si8 — CID 164954831

IUPAC1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2ccc3c(C(C)C)cc(N(c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C94H120N2.C78H104N2.C70H104N2Si8/c1-63(2)89-61-91(95(81-53-73(65-29-13-5-14-30-65)49-74(54-81)66-31-15-6-16-32-66)82-55-75(67-33-17-7-18-34-67)50-76(56-82)68-35-19-8-20-36-68)87-48-46-86-90(64(3)4)62-92(88-47-45-85(89)93(87)94(86)88)96(83-57-77(69-37-21-9-22-38-69)51-78(58-83)70-39-23-10-24-40-70)84-59-79(71-41-25-11-26-42-71)52-80(60-84)72-43-27-12-28-44-72;1-47(2)65-45-67(79(57-37-49(71(5,6)7)33-50(38-57)72(8,9)10)58-39-51(73(11,12)13)34-52(40-58)74(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)80(59-41-53(75(17,18)19)35-54(42-59)76(20,21)22)60-43-55(77(23,24)25)36-56(44-60)78(26,27)28;1-47(2)65-45-67(71(49-33-53(73(5,6)7)41-54(34-49)74(8,9)10)50-35-55(75(11,12)13)42-56(36-50)76(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)72(51-37-57(77(17,18)19)43-58(38-51)78(20,21)22)52-39-59(79(23,24)25)44-60(40-52)80(26,27)28/h45-72H,5-44H2,1-4H3;2*29-48H,1-28H3
InChIKeyBAMUNAZDFGUNJE-UHFFFAOYSA-N
MW3546.02 g/mol
LogP72.43
Rot. Bonds40

About 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 164954831) has the molecular formula C242H328N6Si8 and a molecular weight of 3546.02 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID164954831
Molecular FormulaC242H328N6Si8
Molecular Weight3546.02 g/mol
Exact Mass3542.40
IUPAC Name1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2ccc3c(C(C)C)cc(N(c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C94H120N2.C78H104N2.C70H104N2Si8/c1-63(2)89-61-91(95(81-53-73(65-29-13-5-14-30-65)49-74(54-81)66-31-15-6-16-32-66)82-55-75(67-33-17-7-18-34-67)50-76(56-82)68-35-19-8-20-36-68)87-48-46-86-90(64(3)4)62-92(88-47-45-85(89)93(87)94(86)88)96(83-57-77(69-37-21-9-22-38-69)51-78(58-83)70-39-23-10-24-40-70)84-59-79(71-41-25-11-26-42-71)52-80(60-84)72-43-27-12-28-44-72;1-47(2)65-45-67(79(57-37-49(71(5,6)7)33-50(38-57)72(8,9)10)58-39-51(73(11,12)13)34-52(40-58)74(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)80(59-41-53(75(17,18)19)35-54(42-59)76(20,21)22)60-43-55(77(23,24)25)36-56(44-60)78(26,27)28;1-47(2)65-45-67(71(49-33-53(73(5,6)7)41-54(34-49)74(8,9)10)50-35-55(75(11,12)13)42-56(36-50)76(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)72(51-37-57(77(17,18)19)43-58(38-51)78(20,21)22)52-39-59(79(23,24)25)44-60(40-52)80(26,27)28/h45-72H,5-44H2,1-4H3;2*29-48H,1-28H3
InChIKeyBAMUNAZDFGUNJE-UHFFFAOYSA-N
XLogP72.43
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds40
Heavy Atoms256
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003546.02
LogP ≤ 572.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 155793498
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 88598753
1-N,6-N-bis(4-cyclobutylphenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)-3,8-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58322740
6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-3,9-dicyclohexylchrysene-6,12-diamine
CID 59793145
3,8-ditert-butyl-1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)pyrene-1,6-diamine
CID 164817666
3,8-dicyclohexyl-1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159411496
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158198718
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146497189
1-N,6-N-bis(3-cyclohexylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-6-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159406500
7-tert-butyl-1-N,3-N-bis(3-cyclohexylphenyl)-1-N,3-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]pyrene-1,3-diamine
CID 129062920
6-N,12-N-bis(4-cyclohexylphenyl)-2,8-dimethyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159540355

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 164954831) is 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is CC(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c2ccc3c(C(C)C)cc(N(c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4cc(C5CCCCC5)cc(C5CCCCC5)c4)c4ccc1c2c34.CC(C)c1cc(N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3c(C(C)C)cc(N(c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c4ccc1c2c34.
What is the InChIKey of 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is BAMUNAZDFGUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H120N2.C78H104N2.C70H104N2Si8/c1-63(2)89-61-91(95(81-53-73(65-29-13-5-14-30-65)49-74(54-81)66-31-15-6-16-32-66)82-55-75(67-33-17-7-18-34-67)50-76(56-82)68-35-19-8-20-36-68)87-48-46-86-90(64(3)4)62-92(88-47-45-85(89)93(87)94(86)88)96(83-57-77(69-37-21-9-22-38-69)51-78(58-83)70-39-23-10-24-40-70)84-59-79(71-41-25-11-26-42-71)52-80(60-84)72-43-27-12-28-44-72;1-47(2)65-45-67(79(57-37-49(71(5,6)7)33-50(38-57)72(8,9)10)58-39-51(73(11,12)13)34-52(40-58)74(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)80(59-41-53(75(17,18)19)35-54(42-59)76(20,21)22)60-43-55(77(23,24)25)36-56(44-60)78(26,27)28;1-47(2)65-45-67(71(49-33-53(73(5,6)7)41-54(34-49)74(8,9)10)50-35-55(75(11,12)13)42-56(36-50)76(14,15)16)63-32-30-62-66(48(3)4)46-68(64-31-29-61(65)69(63)70(62)64)72(51-37-57(77(17,18)19)43-58(38-51)78(20,21)22)52-39-59(79(23,24)25)44-60(40-52)80(26,27)28/h45-72H,5-44H2,1-4H3;2*29-48H,1-28H3.
What are the key properties of 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 3546.02 g/mol, XLogP of 72.43, 40 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,6-N,6-N-tetrakis[3,5-bis(trimethylsilyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dicyclohexylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 164954831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).