9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine

C100H86N4 — CID 46836920

IUPAC9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
SMILESCCCCC(C)(C)c1ccc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)CCCC)ccc3c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C100H86N4/c1-7-9-63-99(3,4)77-55-61-89-91(65-77)97(101(79-57-51-75(52-58-79)73-47-43-71(44-48-73)69-27-13-11-14-28-69)81-31-25-33-83(67-81)103-93-39-21-17-35-85(93)86-36-18-22-40-94(86)103)90-62-56-78(100(5,6)64-10-8-2)66-92(90)98(89)102(80-59-53-76(54-60-80)74-49-45-72(46-50-74)70-29-15-12-16-30-70)82-32-26-34-84(68-82)104-95-41-23-19-37-87(95)88-38-20-24-42-96(88)104/h11-62,65-68H,7-10,63-64H2,1-6H3
InChIKeyOAEXKQAODRHZLO-UHFFFAOYSA-N
MW1343.82 g/mol
LogP28.73
Rot. Bonds20

About 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine

9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine (PubChem CID 46836920) has the molecular formula C100H86N4 and a molecular weight of 1343.82 g/mol. Its IUPAC name is 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
PubChem CID46836920
Molecular FormulaC100H86N4
Molecular Weight1343.82 g/mol
Exact Mass1342.69
IUPAC Name9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
SMILESCCCCC(C)(C)c1ccc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)CCCC)ccc3c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C100H86N4/c1-7-9-63-99(3,4)77-55-61-89-91(65-77)97(101(79-57-51-75(52-58-79)73-47-43-71(44-48-73)69-27-13-11-14-28-69)81-31-25-33-83(67-81)103-93-39-21-17-35-85(93)86-36-18-22-40-94(86)103)90-62-56-78(100(5,6)64-10-8-2)66-92(90)98(89)102(80-59-53-76(54-60-80)74-49-45-72(46-50-74)70-29-15-12-16-30-70)82-32-26-34-84(68-82)104-95-41-23-19-37-87(95)88-38-20-24-42-96(88)104/h11-62,65-68H,7-10,63-64H2,1-6H3
InChIKeyOAEXKQAODRHZLO-UHFFFAOYSA-N
XLogP28.73
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.82
LogP ≤ 528.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
N,9-diphenyl-N-[4-[3-[4-(N-phenylanilino)phenyl]octan-3-yl]phenyl]carbazol-2-amine
CID 168810468
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine (CID 46836920) is 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine is CCCCC(C)(C)c1ccc2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)CCCC)ccc3c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.
What is the InChIKey of 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The InChIKey is OAEXKQAODRHZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H86N4/c1-7-9-63-99(3,4)77-55-61-89-91(65-77)97(101(79-57-51-75(52-58-79)73-47-43-71(44-48-73)69-27-13-11-14-28-69)81-31-25-33-83(67-81)103-93-39-21-17-35-85(93)86-36-18-22-40-94(86)103)90-62-56-78(100(5,6)64-10-8-2)66-92(90)98(89)102(80-59-53-76(54-60-80)74-49-45-72(46-50-74)70-29-15-12-16-30-70)82-32-26-34-84(68-82)104-95-41-23-19-37-87(95)88-38-20-24-42-96(88)104/h11-62,65-68H,7-10,63-64H2,1-6H3.
What are the key properties of 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine has a molecular weight of 1343.82 g/mol, XLogP of 28.73, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(3-carbazol-9-ylphenyl)-2,6-bis(2-methylhexan-2-yl)-9-N,10-N-bis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 46836920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).