3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole

C51H37NO — CID 126760057

IUPAC3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1CCc1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C51H37NO/c1-34-22-24-38(39-26-28-49-46(32-39)43-18-7-9-20-48(43)52(49)41-15-3-2-4-16-41)31-45(34)42-17-6-5-13-36(42)25-23-35-12-11-14-37(30-35)40-27-29-51-47(33-40)44-19-8-10-21-50(44)53-51/h2-22,24,26-33H,23,25H2,1H3
InChIKeyBDKJEIMNONQXIO-UHFFFAOYSA-N
MW679.86 g/mol
LogP13.78
Rot. Bonds7

About 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole

3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole (PubChem CID 126760057) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
PubChem CID126760057
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC Name3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1CCc1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C51H37NO/c1-34-22-24-38(39-26-28-49-46(32-39)43-18-7-9-20-48(43)52(49)41-15-3-2-4-16-41)31-45(34)42-17-6-5-13-36(42)25-23-35-12-11-14-37(30-35)40-27-29-51-47(33-40)44-19-8-10-21-50(44)53-51/h2-22,24,26-33H,23,25H2,1H3
InChIKeyBDKJEIMNONQXIO-UHFFFAOYSA-N
XLogP13.78
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 145345371
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
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-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163468628
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
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
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166096450
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole (CID 126760057) is 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1CCc1cccc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The InChIKey is BDKJEIMNONQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-34-22-24-38(39-26-28-49-46(32-39)43-18-7-9-20-48(43)52(49)41-15-3-2-4-16-41)31-45(34)42-17-6-5-13-36(42)25-23-35-12-11-14-37(30-35)40-27-29-51-47(33-40)44-19-8-10-21-50(44)53-51/h2-22,24,26-33H,23,25H2,1H3.
What are the key properties of 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole has a molecular weight of 679.86 g/mol, XLogP of 13.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 126760057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).