3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole

C43H29NO — CID 145345371

IUPAC3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4Cc4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C43H29NO/c1-2-14-33(15-3-1)44-40-20-10-8-18-36(40)38-27-31(22-24-41(38)44)34-16-6-4-12-29(34)26-30-13-5-7-17-35(30)32-23-25-43-39(28-32)37-19-9-11-21-42(37)45-43/h1-25,27-28H,26H2
InChIKeyATFXXNUPRWEYNE-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.61
Rot. Bonds5

About 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole

3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole (PubChem CID 145345371) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
PubChem CID145345371
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4Cc4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C43H29NO/c1-2-14-33(15-3-1)44-40-20-10-8-18-36(40)38-27-31(22-24-41(38)44)34-16-6-4-12-29(34)26-30-13-5-7-17-35(30)32-23-25-43-39(28-32)37-19-9-11-21-42(37)45-43/h1-25,27-28H,26H2
InChIKeyATFXXNUPRWEYNE-UHFFFAOYSA-N
XLogP11.61
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole (CID 145345371) is 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4Cc4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole?
The InChIKey is ATFXXNUPRWEYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c1-2-14-33(15-3-1)44-40-20-10-8-18-36(40)38-27-31(22-24-41(38)44)34-16-6-4-12-29(34)26-30-13-5-7-17-35(30)32-23-25-43-39(28-32)37-19-9-11-21-42(37)45-43/h1-25,27-28H,26H2.
What are the key properties of 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole?
3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole has a molecular weight of 575.71 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 145345371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).