2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

C52H39NO — CID 166096450

IUPAC2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2cccc3oc4ccc(-c5ccc(C)c(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6C)c5)cc4c23)ccc1C
InChIInChI=1S/C52H39NO/c1-32-13-8-9-16-40(32)43-30-38(24-22-33(43)2)41-18-12-20-51-52(41)47-29-37(25-26-50(47)54-51)36-23-21-34(3)44(28-36)45-31-46-42-17-10-11-19-48(42)53(49(46)27-35(45)4)39-14-6-5-7-15-39/h5-31H,1-4H3
InChIKeyPFIQLKTWRCEZQE-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.58
Rot. Bonds5

About 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 166096450) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
PubChem CID166096450
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC Name2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2cccc3oc4ccc(-c5ccc(C)c(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6C)c5)cc4c23)ccc1C
InChIInChI=1S/C52H39NO/c1-32-13-8-9-16-40(32)43-30-38(24-22-33(43)2)41-18-12-20-51-52(41)47-29-37(25-26-50(47)54-51)36-23-21-34(3)44(28-36)45-31-46-42-17-10-11-19-48(42)53(49(46)27-35(45)4)39-14-6-5-7-15-39/h5-31H,1-4H3
InChIKeyPFIQLKTWRCEZQE-UHFFFAOYSA-N
XLogP14.58
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 145018196
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (CID 166096450) is 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is Cc1ccccc1-c1cc(-c2cccc3oc4ccc(-c5ccc(C)c(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6C)c5)cc4c23)ccc1C.
What is the InChIKey of 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is PFIQLKTWRCEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-32-13-8-9-16-40(32)43-30-38(24-22-33(43)2)41-18-12-20-51-52(41)47-29-37(25-26-50(47)54-51)36-23-21-34(3)44(28-36)45-31-46-42-17-10-11-19-48(42)53(49(46)27-35(45)4)39-14-6-5-7-15-39/h5-31H,1-4H3.
What are the key properties of 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 693.89 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 166096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).