N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline

C138H105N7 — CID 58151159

IUPACN-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C138H105N7/c1-134(2,3)96-48-64-103(65-49-96)141(104-70-54-99(55-71-104)137(122-34-18-10-26-110(122)111-27-11-19-35-123(111)137)101-58-76-132-120(82-101)118-80-90(46-74-130(118)144(132)108-66-50-97(51-67-108)135(4,5)6)94-78-92(84-139-86-94)88-42-60-106(61-43-88)142-126-38-22-14-30-114(126)115-31-15-23-39-127(115)142)105-72-56-100(57-73-105)138(124-36-20-12-28-112(124)113-29-13-21-37-125(113)138)102-59-77-133-121(83-102)119-81-91(47-75-131(119)145(133)109-68-52-98(53-69-109)136(7,8)9)95-79-93(85-140-87-95)89-44-62-107(63-45-89)143-128-40-24-16-32-116(128)117-33-17-25-41-129(117)143/h10-87H,1-9H3
InChIKeyLNICKRPFNQUGMY-UHFFFAOYSA-N
MW1861.41 g/mol
LogP35.62
Rot. Bonds15

About N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline

N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline (PubChem CID 58151159) has the molecular formula C138H105N7 and a molecular weight of 1861.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
PubChem CID58151159
Molecular FormulaC138H105N7
Molecular Weight1861.41 g/mol
Exact Mass1859.84
IUPAC NameN-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C138H105N7/c1-134(2,3)96-48-64-103(65-49-96)141(104-70-54-99(55-71-104)137(122-34-18-10-26-110(122)111-27-11-19-35-123(111)137)101-58-76-132-120(82-101)118-80-90(46-74-130(118)144(132)108-66-50-97(51-67-108)135(4,5)6)94-78-92(84-139-86-94)88-42-60-106(61-43-88)142-126-38-22-14-30-114(126)115-31-15-23-39-127(115)142)105-72-56-100(57-73-105)138(124-36-20-12-28-112(124)113-29-13-21-37-125(113)138)102-59-77-133-121(83-102)119-81-91(47-75-131(119)145(133)109-68-52-98(53-69-109)136(7,8)9)95-79-93(85-140-87-95)89-44-62-107(63-45-89)143-128-40-24-16-32-116(128)117-33-17-25-41-129(117)143/h10-87H,1-9H3
InChIKeyLNICKRPFNQUGMY-UHFFFAOYSA-N
XLogP35.62
TPSA48.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001861.41
LogP ≤ 535.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline (CID 58151159) is N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(-c6cncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The InChIKey is LNICKRPFNQUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H105N7/c1-134(2,3)96-48-64-103(65-49-96)141(104-70-54-99(55-71-104)137(122-34-18-10-26-110(122)111-27-11-19-35-123(111)137)101-58-76-132-120(82-101)118-80-90(46-74-130(118)144(132)108-66-50-97(51-67-108)135(4,5)6)94-78-92(84-139-86-94)88-42-60-106(61-43-88)142-126-38-22-14-30-114(126)115-31-15-23-39-127(115)142)105-72-56-100(57-73-105)138(124-36-20-12-28-112(124)113-29-13-21-37-125(113)138)102-59-77-133-121(83-102)119-81-91(47-75-131(119)145(133)109-68-52-98(53-69-109)136(7,8)9)95-79-93(85-140-87-95)89-44-62-107(63-45-89)143-128-40-24-16-32-116(128)117-33-17-25-41-129(117)143/h10-87H,1-9H3.
What are the key properties of N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline has a molecular weight of 1861.41 g/mol, XLogP of 35.62, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 58151159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).