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

C79H60N4 — CID 23397785

IUPAC3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cc8c9ccccc9n(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10C)c(C)c9)c8cc7C)c(C)cc65)cc4C)c(C)c3)c2c1
InChIInChI=1S/C79H60N4/c1-47-28-33-67-64-20-10-15-25-74(64)81(77(67)38-47)55-30-35-59(49(3)40-55)61-37-32-57(42-51(61)5)83-76-27-17-12-22-66(76)71-46-69(53(7)44-79(71)83)68-45-70-65-21-11-16-26-75(65)82(78(70)43-52(68)6)56-31-36-60(50(4)41-56)58-34-29-54(39-48(58)2)80-72-23-13-8-18-62(72)63-19-9-14-24-73(63)80/h8-46H,1-7H3
InChIKeyPMUBZKZQUJLPKX-UHFFFAOYSA-N
MW1065.38 g/mol
LogP21.23
Rot. Bonds7

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

3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 23397785) has the molecular formula C79H60N4 and a molecular weight of 1065.38 g/mol. Its IUPAC name is 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID23397785
Molecular FormulaC79H60N4
Molecular Weight1065.38 g/mol
Exact Mass1064.48
IUPAC Name3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cc8c9ccccc9n(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10C)c(C)c9)c8cc7C)c(C)cc65)cc4C)c(C)c3)c2c1
InChIInChI=1S/C79H60N4/c1-47-28-33-67-64-20-10-15-25-74(64)81(77(67)38-47)55-30-35-59(49(3)40-55)61-37-32-57(42-51(61)5)83-76-27-17-12-22-66(76)71-46-69(53(7)44-79(71)83)68-45-70-65-21-11-16-26-75(65)82(78(70)43-52(68)6)56-31-36-60(50(4)41-56)58-34-29-54(39-48(58)2)80-72-23-13-8-18-62(72)63-19-9-14-24-73(63)80/h8-46H,1-7H3
InChIKeyPMUBZKZQUJLPKX-UHFFFAOYSA-N
XLogP21.23
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.38
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 23397785) is 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole is Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cc8c9ccccc9n(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10C)c(C)c9)c8cc7C)c(C)cc65)cc4C)c(C)c3)c2c1.
What is the InChIKey of 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is PMUBZKZQUJLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N4/c1-47-28-33-67-64-20-10-15-25-74(64)81(77(67)38-47)55-30-35-59(49(3)40-55)61-37-32-57(42-51(61)5)83-76-27-17-12-22-66(76)71-46-69(53(7)44-79(71)83)68-45-70-65-21-11-16-26-75(65)82(78(70)43-52(68)6)56-31-36-60(50(4)41-56)58-34-29-54(39-48(58)2)80-72-23-13-8-18-62(72)63-19-9-14-24-73(63)80/h8-46H,1-7H3.
What are the key properties of 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 1065.38 g/mol, XLogP of 21.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 23397785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).