7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

C57H39NO — CID 170277611

IUPAC7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cc(-c6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)ccc45)c3cc21
InChIInChI=1S/C57H39NO/c1-57(2)50-16-8-6-13-44(50)48-34-49-45-14-7-9-17-52(45)58(54(49)35-51(48)57)53-18-10-15-47-46-32-31-43(33-55(46)59-56(47)53)42-29-27-41(28-30-42)40-25-23-39(24-26-40)38-21-19-37(20-22-38)36-11-4-3-5-12-36/h3-35H,1-2H3
InChIKeyVIGWLIWYYFZZDS-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.66
Rot. Bonds5

About 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (PubChem CID 170277611) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
PubChem CID170277611
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC Name7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cc(-c6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)ccc45)c3cc21
InChIInChI=1S/C57H39NO/c1-57(2)50-16-8-6-13-44(50)48-34-49-45-14-7-9-17-52(45)58(54(49)35-51(48)57)53-18-10-15-47-46-32-31-43(33-55(46)59-56(47)53)42-29-27-41(28-30-42)40-25-23-39(24-26-40)38-21-19-37(20-22-38)36-11-4-3-5-12-36/h3-35H,1-2H3
InChIKeyVIGWLIWYYFZZDS-UHFFFAOYSA-N
XLogP15.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
CID 169060501
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (CID 170277611) is 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cc(-c6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)ccc45)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The InChIKey is VIGWLIWYYFZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)50-16-8-6-13-44(50)48-34-49-45-14-7-9-17-52(45)58(54(49)35-51(48)57)53-18-10-15-47-46-32-31-43(33-55(46)59-56(47)53)42-29-27-41(28-30-42)40-25-23-39(24-26-40)38-21-19-37(20-22-38)36-11-4-3-5-12-36/h3-35H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole has a molecular weight of 753.95 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 170277611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).