About N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 58151188) has the molecular formula C148H112N8
and a molecular weight of 2002.58 g/mol. Its IUPAC name is N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
Molecular Properties
| Compound Name | N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
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| PubChem CID | 58151188 |
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| Molecular Formula | C148H112N8 |
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| Molecular Weight | 2002.58 g/mol |
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| Exact Mass | 2000.90 |
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| IUPAC Name | N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
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| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc(N(c7ccc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc(N(c7ccc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1 |
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| InChI | InChI=1S/C148H112N8/c1-97-41-63-113(64-42-97)151(114-65-43-98(2)44-66-114)121-83-85-124(86-84-121)156-143-87-61-111(147(135-33-17-9-25-125(135)126-26-10-18-34-136(126)147)109-57-79-119(80-58-109)152(117-75-53-107(54-76-117)145(3,4)5)115-67-45-99(46-68-115)103-89-105(95-149-93-103)101-49-71-122(72-50-101)154-139-37-21-13-29-129(139)130-30-14-22-38-140(130)154)91-133(143)134-92-112(62-88-144(134)156)148(137-35-19-11-27-127(137)128-28-12-20-36-138(128)148)110-59-81-120(82-60-110)153(118-77-55-108(56-78-118)146(6,7)8)116-69-47-100(48-70-116)104-90-106(96-150-94-104)102-51-73-123(74-52-102)155-141-39-23-15-31-131(141)132-32-16-24-40-142(132)155/h9-96H,1-8H3 |
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| InChIKey | YAFVPUJYOSFNON-UHFFFAOYSA-N |
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| XLogP | 38.78 |
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| TPSA | 50.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 156 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 2002.58 |
| LogP ≤ 5 | 38.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 58151188) is N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc(N(c7ccc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc(N(c7ccc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YAFVPUJYOSFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H112N8/c1-97-41-63-113(64-42-97)151(114-65-43-98(2)44-66-114)121-83-85-124(86-84-121)156-143-87-61-111(147(135-33-17-9-25-125(135)126-26-10-18-34-136(126)147)109-57-79-119(80-58-109)152(117-75-53-107(54-76-117)145(3,4)5)115-67-45-99(46-68-115)103-89-105(95-149-93-103)101-49-71-122(72-50-101)154-139-37-21-13-29-129(139)130-30-14-22-38-140(130)154)91-133(143)134-92-112(62-88-144(134)156)148(137-35-19-11-27-127(137)128-28-12-20-36-138(128)148)110-59-81-120(82-60-110)153(118-77-55-108(56-78-118)146(6,7)8)116-69-47-100(48-70-116)104-90-106(96-150-94-104)102-51-73-123(74-52-102)155-141-39-23-15-31-131(141)132-32-16-24-40-142(132)155/h9-96H,1-8H3.
What are the key properties of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 2002.58 g/mol, XLogP of 38.78, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58151188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).