2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole

C77H60N6 — CID 88878701

IUPAC2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c4ccc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5C)cc4n(-c4c(C)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C)c3c2)c(C)c1
InChIInChI=1S/C77H60N6/c1-45-19-31-68-64(35-45)65-36-46(2)20-32-69(65)81(68)58-25-29-60(49(5)41-58)55-23-27-62-63-28-24-56(61-30-26-59(42-50(61)6)82-70-33-21-47(3)37-66(70)67-38-48(4)22-34-71(67)82)44-73(63)83(72(62)43-55)74-51(7)39-57(40-52(74)8)77-79-75(53-15-11-9-12-16-53)78-76(80-77)54-17-13-10-14-18-54/h9-44H,1-8H3
InChIKeyDZRUMSAMCJNTBX-UHFFFAOYSA-N
MW1069.37 g/mol
LogP19.97
Rot. Bonds8

About 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole

2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole (PubChem CID 88878701) has the molecular formula C77H60N6 and a molecular weight of 1069.37 g/mol. Its IUPAC name is 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole.

Molecular Properties

Compound Name2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
PubChem CID88878701
Molecular FormulaC77H60N6
Molecular Weight1069.37 g/mol
Exact Mass1068.49
IUPAC Name2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c4ccc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5C)cc4n(-c4c(C)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C)c3c2)c(C)c1
InChIInChI=1S/C77H60N6/c1-45-19-31-68-64(35-45)65-36-46(2)20-32-69(65)81(68)58-25-29-60(49(5)41-58)55-23-27-62-63-28-24-56(61-30-26-59(42-50(61)6)82-70-33-21-47(3)37-66(70)67-38-48(4)22-34-71(67)82)44-73(63)83(72(62)43-55)74-51(7)39-57(40-52(74)8)77-79-75(53-15-11-9-12-16-53)78-76(80-77)54-17-13-10-14-18-54/h9-44H,1-8H3
InChIKeyDZRUMSAMCJNTBX-UHFFFAOYSA-N
XLogP19.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.37
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The IUPAC name of 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole (CID 88878701) is 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole.
What is the SMILES notation for 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The canonical SMILES for 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c4ccc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5C)cc4n(-c4c(C)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C)c3c2)c(C)c1.
What is the InChIKey of 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
The InChIKey is DZRUMSAMCJNTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N6/c1-45-19-31-68-64(35-45)65-36-46(2)20-32-69(65)81(68)58-25-29-60(49(5)41-58)55-23-27-62-63-28-24-56(61-30-26-59(42-50(61)6)82-70-33-21-47(3)37-66(70)67-38-48(4)22-34-71(67)82)44-73(63)83(72(62)43-55)74-51(7)39-57(40-52(74)8)77-79-75(53-15-11-9-12-16-53)78-76(80-77)54-17-13-10-14-18-54/h9-44H,1-8H3.
What are the key properties of 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole?
2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole has a molecular weight of 1069.37 g/mol, XLogP of 19.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole is sourced from PubChem (CID 88878701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).