3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole

C48H32N2O2 — CID 118220359

IUPAC3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-4-14-35(15-5-1)49-45-22-12-10-20-41(45)43-28-33(24-26-47(43)49)34-25-27-48-44(29-34)42-21-11-13-23-46(42)50(48)36-30-39(51-37-16-6-2-7-17-37)32-40(31-36)52-38-18-8-3-9-19-38/h1-32H
InChIKeyJHWAGJIXTVLVEL-UHFFFAOYSA-N
MW668.80 g/mol
LogP13.13
Rot. Bonds7

About 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118220359) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID118220359
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-4-14-35(15-5-1)49-45-22-12-10-20-41(45)43-28-33(24-26-47(43)49)34-25-27-48-44(29-34)42-21-11-13-23-46(42)50(48)36-30-39(51-37-16-6-2-7-17-37)32-40(31-36)52-38-18-8-3-9-19-38/h1-32H
InChIKeyJHWAGJIXTVLVEL-UHFFFAOYSA-N
XLogP13.13
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole
CID 140904941
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 118220359) is 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(Oc2cc(Oc3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is JHWAGJIXTVLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-4-14-35(15-5-1)49-45-22-12-10-20-41(45)43-28-33(24-26-47(43)49)34-25-27-48-44(29-34)42-21-11-13-23-46(42)50(48)36-30-39(51-37-16-6-2-7-17-37)32-40(31-36)52-38-18-8-3-9-19-38/h1-32H.
What are the key properties of 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 668.80 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118220359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).