About 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 155377537) has the molecular formula C142H84N14
and a molecular weight of 1986.33 g/mol. Its IUPAC name is 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
Molecular Properties
| Compound Name | 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile |
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| PubChem CID | 155377537 |
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| Molecular Formula | C142H84N14 |
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| Molecular Weight | 1986.33 g/mol |
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| Exact Mass | 1984.70 |
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| IUPAC Name | 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile |
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| SMILES | N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4c(-c5ccc(-c6cc(-n7c8ccc(-c9ccc(-c%10ccccc%10)cn9)cc8c8cc(-c9cccc(-c%10ccccc%10)n9)ccc87)c(-n7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8c8cc(-c9cccc(-c%10ccccc%10)n9)ccc87)cc6C#N)cc5C#N)cccc43)cc2C#N)c1 |
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| InChI | InChI=1S/C142H84N14/c143-82-89-26-21-39-98(70-89)115-80-141(155-130-48-20-19-40-111(130)112-61-50-96(76-136(112)155)105-54-63-121(147-87-105)91-29-9-2-10-30-91)139(79-108(115)84-145)156-135-49-22-41-113(142(135)114-62-51-97(77-137(114)156)106-55-64-122(148-88-106)92-31-11-3-12-32-92)110-60-52-99(71-107(110)83-144)116-81-140(154-133-66-56-100(123-65-53-104(86-149-123)90-27-7-1-8-28-90)72-117(133)118-73-103(59-69-134(118)154)129-47-25-44-126(152-129)95-37-17-6-18-38-95)138(78-109(116)85-146)153-131-67-57-101(127-45-23-42-124(150-127)93-33-13-4-14-34-93)74-119(131)120-75-102(58-68-132(120)153)128-46-24-43-125(151-128)94-35-15-5-16-36-94/h1-81,86-88H |
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| InChIKey | QTIUEQPFNDZKDE-UHFFFAOYSA-N |
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| XLogP | 34.94 |
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| TPSA | 192.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 156 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1986.33 |
| LogP ≤ 5 | 34.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Analyze 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 155377537) is 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4c(-c5ccc(-c6cc(-n7c8ccc(-c9ccc(-c%10ccccc%10)cn9)cc8c8cc(-c9cccc(-c%10ccccc%10)n9)ccc87)c(-n7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8c8cc(-c9cccc(-c%10ccccc%10)n9)ccc87)cc6C#N)cc5C#N)cccc43)cc2C#N)c1.
What is the InChIKey of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is QTIUEQPFNDZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84N14/c143-82-89-26-21-39-98(70-89)115-80-141(155-130-48-20-19-40-111(130)112-61-50-96(76-136(112)155)105-54-63-121(147-87-105)91-29-9-2-10-30-91)139(79-108(115)84-145)156-135-49-22-41-113(142(135)114-62-51-97(77-137(114)156)106-55-64-122(148-88-106)92-31-11-3-12-32-92)110-60-52-99(71-107(110)83-144)116-81-140(154-133-66-56-100(123-65-53-104(86-149-123)90-27-7-1-8-28-90)72-117(133)118-73-103(59-69-134(118)154)129-47-25-44-126(152-129)95-37-17-6-18-38-95)138(78-109(116)85-146)153-131-67-57-101(127-45-23-42-124(150-127)93-33-13-4-14-34-93)74-119(131)120-75-102(58-68-132(120)153)128-46-24-43-125(151-128)94-35-15-5-16-36-94/h1-81,86-88H.
What are the key properties of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 1986.33 g/mol, XLogP of 34.94, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[3-cyano-4-[9-[5-cyano-4-(3-cyanophenyl)-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-7-(6-phenyl-3-pyridinyl)carbazol-4-yl]phenyl]-4-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155377537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).