N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline

C112H102N4 — CID 59404168

About N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline

N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline (PubChem CID 59404168) has the molecular formula C112H102N4 and a molecular weight of 1504.08 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline
• PubChem CID: 59404168
• Molecular Formula: C112H102N4
• Molecular Weight: 1504.08 g/mol
• Exact Mass: 1502.81
• IUPAC Name: N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline
• SMILES: CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc7c(c6)c6cc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)ccc21
• InChI: InChI=1S/C112H102N4/c1-12-14-28-75(13-2)74-113-104-40-27-22-35-96(104)97-71-77(43-68-105(97)113)76-41-56-86(57-42-76)115(88-60-46-79(47-61-88)109(6,7)8)90-66-52-82(53-67-90)112(102-38-25-20-33-94(102)95-34-21-26-39-103(95)112)84-55-70-107-99(73-84)98-72-83(54-69-106(98)116(107)91-62-48-80(49-63-91)110(9,10)11)111(100-36-23-18-31-92(100)93-32-19-24-37-101(93)111)81-50-64-89(65-51-81)114(85-29-16-15-17-30-85)87-58-44-78(45-59-87)108(3,4)5/h15-27,29-73,75H,12-14,28,74H2,1-11H3
• InChIKey: UXTWHMCDRNQLNT-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1504.08
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline?

The IUPAC name of N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline (CID 59404168) is N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline is CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc7c(c6)c6cc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)ccc21.

What is the InChIKey of N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline?

The InChIKey is UXTWHMCDRNQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H102N4/c1-12-14-28-75(13-2)74-113-104-40-27-22-35-96(104)97-71-77(43-68-105(97)113)76-41-56-86(57-42-76)115(88-60-46-79(47-61-88)109(6,7)8)90-66-52-82(53-67-90)112(102-38-25-20-33-94(102)95-34-21-26-39-103(95)112)84-55-70-107-99(73-84)98-72-83(54-69-106(98)116(107)91-62-48-80(49-63-91)110(9,10)11)111(100-36-23-18-31-92(100)93-32-19-24-37-101(93)111)81-50-64-89(65-51-81)114(85-29-16-15-17-30-85)87-58-44-78(45-59-87)108(3,4)5/h15-27,29-73,75H,12-14,28,74H2,1-11H3.

What are the key properties of N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline?

N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline has a molecular weight of 1504.08 g/mol, XLogP of 30.33, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline is sourced from PubChem (CID 59404168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).