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

C86H82N4 — CID 174199803

IUPAC6-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
SMILESCCCc1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(CCC)cc(N(c4cccc5c4CCCC5)c4cccc5c4c4ccccc4n5-c4cccc(C(C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C86H82N4/c1-9-24-57-50-79(89(73-40-19-28-55-26-11-13-34-64(55)73)63-44-45-69-68-36-15-17-38-75(68)88(81(69)54-63)62-33-22-31-60(53-62)86(6,7)8)71-48-46-67-58(25-10-2)51-80(72-49-47-66(57)82(71)83(67)72)90(74-41-20-29-56-27-12-14-35-65(56)74)78-43-23-42-77-84(78)70-37-16-18-39-76(70)87(77)61-32-21-30-59(52-61)85(3,4)5/h15-23,28-33,36-54H,9-14,24-27,34-35H2,1-8H3
InChIKeyQCZWHQKCJXBWDW-UHFFFAOYSA-N
MW1171.63 g/mol
LogP23.98
Rot. Bonds12

About 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

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 (PubChem CID 174199803) 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-dipropyl-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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
PubChem CID174199803
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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
SMILESCCCc1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(CCC)cc(N(c4cccc5c4CCCC5)c4cccc5c4c4ccccc4n5-c4cccc(C(C)(C)C)c4)c4ccc1c2c34
InChIInChI=1S/C86H82N4/c1-9-24-57-50-79(89(73-40-19-28-55-26-11-13-34-64(55)73)63-44-45-69-68-36-15-17-38-75(68)88(81(69)54-63)62-33-22-31-60(53-62)86(6,7)8)71-48-46-67-58(25-10-2)51-80(72-49-47-66(57)82(71)83(67)72)90(74-41-20-29-56-27-12-14-35-65(56)74)78-43-23-42-77-84(78)70-37-16-18-39-76(70)87(77)61-32-21-30-59(52-61)85(3,4)5/h15-23,28-33,36-54H,9-14,24-27,34-35H2,1-8H3
InChIKeyQCZWHQKCJXBWDW-UHFFFAOYSA-N
XLogP23.98
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.63
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-di(propan-2-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937359
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
1-N,6-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-3,8-dipropyl-1-N,6-N-bis(1,2,3,4-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 174199912
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-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-(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-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-(3,5-ditert-butylphenyl)carbazol-4-yl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 156529590

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-dipropyl-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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine (CID 174199803) is 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.
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-dipropyl-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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is CCCc1cc(N(c2ccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4)c3c2)c2cccc3c2CCCC3)c2ccc3c(CCC)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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?
The InChIKey is QCZWHQKCJXBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H82N4/c1-9-24-57-50-79(89(73-40-19-28-55-26-11-13-34-64(55)73)63-44-45-69-68-36-15-17-38-75(68)88(81(69)54-63)62-33-22-31-60(53-62)86(6,7)8)71-48-46-67-58(25-10-2)51-80(72-49-47-66(57)82(71)83(67)72)90(74-41-20-29-56-27-12-14-35-65(56)74)78-43-23-42-77-84(78)70-37-16-18-39-76(70)87(77)61-32-21-30-59(52-61)85(3,4)5/h15-23,28-33,36-54H,9-14,24-27,34-35H2,1-8H3.
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-dipropyl-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-dipropyl-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 23.98, 12 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-dipropyl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is sourced from PubChem (CID 174199803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).