3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole

C59H45N3 — CID 59412028

IUPAC3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C59H45N3/c1-36-6-18-45(19-7-36)60-54-24-12-39(4)30-48(54)50-32-41(14-26-56(50)60)43-16-28-58-52(34-43)53-35-44(17-29-59(53)62(58)47-22-10-38(3)11-23-47)42-15-27-57-51(33-42)49-31-40(5)13-25-55(49)61(57)46-20-8-37(2)9-21-46/h6-35H,1-5H3
InChIKeyJNOISHNDIVDHGX-UHFFFAOYSA-N
MW796.03 g/mol
LogP15.85
Rot. Bonds5

About 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole

3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole (PubChem CID 59412028) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
PubChem CID59412028
Molecular FormulaC59H45N3
Molecular Weight796.03 g/mol
Exact Mass795.36
IUPAC Name3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C59H45N3/c1-36-6-18-45(19-7-36)60-54-24-12-39(4)30-48(54)50-32-41(14-26-56(50)60)43-16-28-58-52(34-43)53-35-44(17-29-59(53)62(58)47-22-10-38(3)11-23-47)42-15-27-57-51(33-42)49-31-40(5)13-25-55(49)61(57)46-20-8-37(2)9-21-46/h6-35H,1-5H3
InChIKeyJNOISHNDIVDHGX-UHFFFAOYSA-N
XLogP15.85
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The IUPAC name of 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole (CID 59412028) is 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The InChIKey is JNOISHNDIVDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N3/c1-36-6-18-45(19-7-36)60-54-24-12-39(4)30-48(54)50-32-41(14-26-56(50)60)43-16-28-58-52(34-43)53-35-44(17-29-59(53)62(58)47-22-10-38(3)11-23-47)42-15-27-57-51(33-42)49-31-40(5)13-25-55(49)61(57)46-20-8-37(2)9-21-46/h6-35H,1-5H3.
What are the key properties of 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole?
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole has a molecular weight of 796.03 g/mol, XLogP of 15.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 59412028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).