2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C55H40N2 — CID 144884866

IUPAC2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c2)C=Cc2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C55H40N2/c1-55(44-28-29-49-47-24-11-13-26-51(47)56(54(49)36-44)45-23-15-22-41(33-45)38-16-5-2-6-17-38)31-30-53-50(37-55)48-25-12-14-27-52(48)57(53)46-34-42(39-18-7-3-8-19-39)32-43(35-46)40-20-9-4-10-21-40/h2-36H,37H2,1H3
InChIKeyXTUPFBJTPALDFD-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.26
Rot. Bonds6

About 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole

2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 144884866) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID144884866
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c2)C=Cc2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C55H40N2/c1-55(44-28-29-49-47-24-11-13-26-51(47)56(54(49)36-44)45-23-15-22-41(33-45)38-16-5-2-6-17-38)31-30-53-50(37-55)48-25-12-14-27-52(48)57(53)46-34-42(39-18-7-3-8-19-39)32-43(35-46)40-20-9-4-10-21-40/h2-36H,37H2,1H3
InChIKeyXTUPFBJTPALDFD-UHFFFAOYSA-N
XLogP14.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751
3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole
CID 123897141
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 144884866) is 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole is CC1(c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3c2)C=Cc2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1.
What is the InChIKey of 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is XTUPFBJTPALDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(44-28-29-49-47-24-11-13-26-51(47)56(54(49)36-44)45-23-15-22-41(33-45)38-16-5-2-6-17-38)31-30-53-50(37-55)48-25-12-14-27-52(48)57(53)46-34-42(39-18-7-3-8-19-39)32-43(35-46)40-20-9-4-10-21-40/h2-36H,37H2,1H3.
What are the key properties of 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 728.94 g/mol, XLogP of 14.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 144884866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).