6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine

C86H82N4 — CID 170937359

IUPAC6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(C(C)C)cc(N(c4cccc5c4CCCC5)c4cccc5c4c4ccccc4n5-c4cccc(C(C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C86H82N4/c1-53(2)71-51-80(89(73-38-19-26-55-24-11-13-32-62(55)73)61-42-43-65-64-34-15-17-36-75(64)88(79(65)50-61)60-31-22-29-58(49-60)86(8,9)10)69-46-44-67-72(54(3)4)52-81(70-47-45-66(71)82(69)83(67)70)90(74-39-20-27-56-25-12-14-33-63(56)74)78-41-23-40-77-84(78)68-35-16-18-37-76(68)87(77)59-30-21-28-57(48-59)85(5,6)7/h15-23,26-31,34-54H,11-14,24-25,32-33H2,1-10H3
InChIKeyZUMHNKBGOFMANU-UHFFFAOYSA-N
MW1171.63 g/mol
LogP24.32
Rot. Bonds10

About 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine

6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine (PubChem CID 170937359) has the molecular formula C86H82N4 and a molecular weight of 1171.63 g/mol. Its IUPAC name is 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
PubChem CID170937359
Molecular FormulaC86H82N4
Molecular Weight1171.63 g/mol
Exact Mass1170.65
IUPAC Name6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(C(C)C)cc(N(c4cccc5c4CCCC5)c4cccc5c4c4ccccc4n5-c4cccc(C(C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C86H82N4/c1-53(2)71-51-80(89(73-38-19-26-55-24-11-13-32-62(55)73)61-42-43-65-64-34-15-17-36-75(64)88(79(65)50-61)60-31-22-29-58(49-60)86(8,9)10)69-46-44-67-72(54(3)4)52-81(70-47-45-66(71)82(69)83(67)70)90(74-39-20-27-56-25-12-14-33-63(56)74)78-41-23-40-77-84(78)68-35-16-18-37-76(68)87(77)59-30-21-28-57(48-59)85(5,6)7/h15-23,26-31,34-54H,11-14,24-25,32-33H2,1-10H3
InChIKeyZUMHNKBGOFMANU-UHFFFAOYSA-N
XLogP24.32
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.63
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 174199803
1-N,6-N-bis[9-(3-methylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937297
1-N,6-N-bis[9-(2-tert-butylphenyl)carbazol-2-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937334
3,8-di(propan-2-yl)-1-N,6-N-bis[9-(4-propan-2-ylphenyl)carbazol-4-yl]-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937294
1-N,6-N-bis[9-(4-ethylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937256
1-N,6-N-bis[9-(4-tert-butylphenyl)carbazol-1-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937222
1-N,6-N-bis(4-methyl-9-phenylcarbazol-2-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937259
3,8-di(propan-2-yl)-1-N,6-N-bis[9-(3-propan-2-ylphenyl)carbazol-1-yl]-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937258
1-N,6-N-bis[9-(2-methylphenyl)carbazol-2-yl]-3,8-di(propan-2-yl)-6-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937212
6-N-(1,3-dimethyl-9-phenylcarbazol-2-yl)-1-N-(2,4-dimethyl-9-phenylcarbazol-3-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937250
1-N,6-N-bis[9-(3-methylphenyl)carbazol-2-yl]-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937325
1-N,6-N-bis[9-(4-methylphenyl)carbazol-1-yl]-3,8-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 174199656

Frequently Asked Questions

What is the IUPAC name of 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?
The IUPAC name of 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine (CID 170937359) is 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine.
What is the SMILES notation for 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?
The canonical SMILES for 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is CC(C)c1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(C(C)C)cc(N(c4cccc5c4CCCC5)c4cccc5c4c4ccccc4n5-c4cccc(C(C)(C)C)c4)c4ccc1c2c34.
What is the InChIKey of 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?
The InChIKey is ZUMHNKBGOFMANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H82N4/c1-53(2)71-51-80(89(73-38-19-26-55-24-11-13-32-62(55)73)61-42-43-65-64-34-15-17-36-75(64)88(79(65)50-61)60-31-22-29-58(49-60)86(8,9)10)69-46-44-67-72(54(3)4)52-81(70-47-45-66(71)82(69)83(67)70)90(74-39-20-27-56-25-12-14-33-63(56)74)78-41-23-40-77-84(78)68-35-16-18-37-76(68)87(77)59-30-21-28-57(48-59)85(5,6)7/h15-23,26-31,34-54H,11-14,24-25,32-33H2,1-10H3.
What are the key properties of 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?
6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine has a molecular weight of 1171.63 g/mol, XLogP of 24.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[9-(3-tert-butylphenyl)carbazol-2-yl]-1-N-[9-(3-tert-butylphenyl)carbazol-4-yl]-3,8-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is sourced from PubChem (CID 170937359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).