3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole

C61H42N4 — CID 155771445

IUPAC3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
SMILESCc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1C
InChIInChI=1S/C61H42N4/c1-39-46(25-15-26-48(39)61-40(2)47(34-35-62-61)42-17-14-18-43(37-42)63-55-27-8-3-20-49(55)50-21-4-9-28-56(50)63)41-16-13-19-44(36-41)64-59-31-12-7-24-53(59)54-38-45(32-33-60(54)64)65-57-29-10-5-22-51(57)52-23-6-11-30-58(52)65/h3-38H,1-2H3
InChIKeyPLERBDMAQLMIRY-UHFFFAOYSA-N
MW831.04 g/mol
LogP15.99
Rot. Bonds6

About 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole

3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole (PubChem CID 155771445) has the molecular formula C61H42N4 and a molecular weight of 831.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
PubChem CID155771445
Molecular FormulaC61H42N4
Molecular Weight831.04 g/mol
Exact Mass830.34
IUPAC Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole
SMILESCc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1C
InChIInChI=1S/C61H42N4/c1-39-46(25-15-26-48(39)61-40(2)47(34-35-62-61)42-17-14-18-43(37-42)63-55-27-8-3-20-49(55)50-21-4-9-28-56(50)63)41-16-13-19-44(36-41)64-59-31-12-7-24-53(59)54-38-45(32-33-60(54)64)65-57-29-10-5-22-51(57)52-23-6-11-30-58(52)65/h3-38H,1-2H3
InChIKeyPLERBDMAQLMIRY-UHFFFAOYSA-N
XLogP15.99
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole (CID 155771445) is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole is Cc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1C.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
The InChIKey is PLERBDMAQLMIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4/c1-39-46(25-15-26-48(39)61-40(2)47(34-35-62-61)42-17-14-18-43(37-42)63-55-27-8-3-20-49(55)50-21-4-9-28-56(50)63)41-16-13-19-44(36-41)64-59-31-12-7-24-53(59)54-38-45(32-33-60(54)64)65-57-29-10-5-22-51(57)52-23-6-11-30-58(52)65/h3-38H,1-2H3.
What are the key properties of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole?
3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole has a molecular weight of 831.04 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-ylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]phenyl]carbazole is sourced from PubChem (CID 155771445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).