3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole

C93H66N6 — CID 152656922

IUPAC3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(-c3ccncc3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3cccc(C)n3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c2-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C93H66N6/c1-57-25-45-84-75(53-57)71-16-6-10-21-80(71)96(84)67-37-29-62(30-38-67)88-89(63-31-39-68(40-32-63)97-81-22-11-7-17-72(81)76-54-58(2)26-46-85(76)97)91(64-33-41-69(42-34-64)98-82-23-12-8-18-73(82)77-55-59(3)27-47-86(77)98)93(79-20-14-15-61(5)95-79)92(90(88)66-49-51-94-52-50-66)65-35-43-70(44-36-65)99-83-24-13-9-19-74(83)78-56-60(4)28-48-87(78)99/h6-56H,1-5H3
InChIKeyZISGMNFGZVRXJT-UHFFFAOYSA-N
MW1267.59 g/mol
LogP24.41
Rot. Bonds10

About 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole

3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole (PubChem CID 152656922) has the molecular formula C93H66N6 and a molecular weight of 1267.59 g/mol. Its IUPAC name is 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole
PubChem CID152656922
Molecular FormulaC93H66N6
Molecular Weight1267.59 g/mol
Exact Mass1266.53
IUPAC Name3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(-c3ccncc3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3cccc(C)n3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c2-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C93H66N6/c1-57-25-45-84-75(53-57)71-16-6-10-21-80(71)96(84)67-37-29-62(30-38-67)88-89(63-31-39-68(40-32-63)97-81-22-11-7-17-72(81)76-54-58(2)26-46-85(76)97)91(64-33-41-69(42-34-64)98-82-23-12-8-18-73(82)77-55-59(3)27-47-86(77)98)93(79-20-14-15-61(5)95-79)92(90(88)66-49-51-94-52-50-66)65-35-43-70(44-36-65)99-83-24-13-9-19-74(83)78-56-60(4)28-48-87(78)99/h6-56H,1-5H3
InChIKeyZISGMNFGZVRXJT-UHFFFAOYSA-N
XLogP24.41
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001267.59
LogP ≤ 524.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole?
The IUPAC name of 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole (CID 152656922) is 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole.
What is the SMILES notation for 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole?
The canonical SMILES for 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c(-c3ccncc3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3cccc(C)n3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c2-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)cc1.
What is the InChIKey of 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole?
The InChIKey is ZISGMNFGZVRXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H66N6/c1-57-25-45-84-75(53-57)71-16-6-10-21-80(71)96(84)67-37-29-62(30-38-67)88-89(63-31-39-68(40-32-63)97-81-22-11-7-17-72(81)76-54-58(2)26-46-85(76)97)91(64-33-41-69(42-34-64)98-82-23-12-8-18-73(82)77-55-59(3)27-47-86(77)98)93(79-20-14-15-61(5)95-79)92(90(88)66-49-51-94-52-50-66)65-35-43-70(44-36-65)99-83-24-13-9-19-74(83)78-56-60(4)28-48-87(78)99/h6-56H,1-5H3.
What are the key properties of 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole?
3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole has a molecular weight of 1267.59 g/mol, XLogP of 24.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole is sourced from PubChem (CID 152656922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).