3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine

C86H59N7 — CID 58925370

IUPAC3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2c2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21
InChIInChI=1S/C86H59N7/c1-2-87-77-53-51-65(88(57-35-43-61(44-36-57)90-79-27-11-3-19-67(79)68-20-4-12-28-80(68)90)58-37-45-62(46-38-58)91-81-29-13-5-21-69(81)70-22-6-14-30-82(70)91)55-75(77)76-56-66(52-54-78(76)87)89(59-39-47-63(48-40-59)92-83-31-15-7-23-71(83)72-24-8-16-32-84(72)92)60-41-49-64(50-42-60)93-85-33-17-9-25-73(85)74-26-10-18-34-86(74)93/h3-56H,2H2,1H3
InChIKeyFQCGEBCAFKVDNY-UHFFFAOYSA-N
MW1190.47 g/mol
LogP23.14
Rot. Bonds11

About 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine (PubChem CID 58925370) has the molecular formula C86H59N7 and a molecular weight of 1190.47 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine
PubChem CID58925370
Molecular FormulaC86H59N7
Molecular Weight1190.47 g/mol
Exact Mass1189.48
IUPAC Name3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2c2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21
InChIInChI=1S/C86H59N7/c1-2-87-77-53-51-65(88(57-35-43-61(44-36-57)90-79-27-11-3-19-67(79)68-20-4-12-28-80(68)90)58-37-45-62(46-38-58)91-81-29-13-5-21-69(81)70-22-6-14-30-82(70)91)55-75(77)76-56-66(52-54-78(76)87)89(59-39-47-63(48-40-59)92-83-31-15-7-23-71(83)72-24-8-16-32-84(72)92)60-41-49-64(50-42-60)93-85-33-17-9-25-73(85)74-26-10-18-34-86(74)93/h3-56H,2H2,1H3
InChIKeyFQCGEBCAFKVDNY-UHFFFAOYSA-N
XLogP23.14
TPSA31.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.47
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine (CID 58925370) is 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine is CCn1c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2c2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine?
The InChIKey is FQCGEBCAFKVDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H59N7/c1-2-87-77-53-51-65(88(57-35-43-61(44-36-57)90-79-27-11-3-19-67(79)68-20-4-12-28-80(68)90)58-37-45-62(46-38-58)91-81-29-13-5-21-69(81)70-22-6-14-30-82(70)91)55-75(77)76-56-66(52-54-78(76)87)89(59-39-47-63(48-40-59)92-83-31-15-7-23-71(83)72-24-8-16-32-84(72)92)60-41-49-64(50-42-60)93-85-33-17-9-25-73(85)74-26-10-18-34-86(74)93/h3-56H,2H2,1H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine has a molecular weight of 1190.47 g/mol, XLogP of 23.14, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9-ethylcarbazole-3,6-diamine is sourced from PubChem (CID 58925370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).