6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine

C79H60N4 — CID 152855009

IUPAC6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C79H60N4/c1-3-22-54(2)57-41-48-75-71(51-57)73-53-65(81(60-27-12-6-13-28-60)61-29-14-7-15-30-61)47-50-77(73)83(75)63-44-39-56(40-45-63)79-69-34-18-16-32-67(69)78(68-33-17-19-35-70(68)79)55-37-42-62(43-38-55)82-74-36-21-20-31-66(74)72-52-64(46-49-76(72)82)80(58-23-8-4-9-24-58)59-25-10-5-11-26-59/h4-21,23-54H,3,22H2,1-2H3
InChIKeyTWFHVLBWCYPICS-UHFFFAOYSA-N
MW1065.38 g/mol
LogP22.36
Rot. Bonds13

About 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine

6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 152855009) has the molecular formula C79H60N4 and a molecular weight of 1065.38 g/mol. Its IUPAC name is 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
PubChem CID152855009
Molecular FormulaC79H60N4
Molecular Weight1065.38 g/mol
Exact Mass1064.48
IUPAC Name6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C79H60N4/c1-3-22-54(2)57-41-48-75-71(51-57)73-53-65(81(60-27-12-6-13-28-60)61-29-14-7-15-30-61)47-50-77(73)83(75)63-44-39-56(40-45-63)79-69-34-18-16-32-67(69)78(68-33-17-19-35-70(68)79)55-37-42-62(43-38-55)82-74-36-21-20-31-66(74)72-52-64(46-49-76(72)82)80(58-23-8-4-9-24-58)59-25-10-5-11-26-59/h4-21,23-54H,3,22H2,1-2H3
InChIKeyTWFHVLBWCYPICS-UHFFFAOYSA-N
XLogP22.36
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.38
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 161258382
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 143437963
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
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-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875

Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine (CID 152855009) is 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine is CCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The InChIKey is TWFHVLBWCYPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N4/c1-3-22-54(2)57-41-48-75-71(51-57)73-53-65(81(60-27-12-6-13-28-60)61-29-14-7-15-30-61)47-50-77(73)83(75)63-44-39-56(40-45-63)79-69-34-18-16-32-67(69)78(68-33-17-19-35-70(68)79)55-37-42-62(43-38-55)82-74-36-21-20-31-66(74)72-52-64(46-49-76(72)82)80(58-23-8-4-9-24-58)59-25-10-5-11-26-59/h4-21,23-54H,3,22H2,1-2H3.
What are the key properties of 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine has a molecular weight of 1065.38 g/mol, XLogP of 22.36, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 152855009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).