3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole

C53H35N3O — CID 126536598

IUPAC3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ncccc4n3)cccc21
InChIInChI=1S/C53H35N3O/c1-53(2)42-19-10-18-38(45-31-41(52-44(55-45)20-12-28-54-52)36-17-11-23-49-51(36)39-16-7-9-22-48(39)57-49)50(42)37-26-24-33(30-43(37)53)32-25-27-47-40(29-32)35-15-6-8-21-46(35)56(47)34-13-4-3-5-14-34/h3-31H,1-2H3
InChIKeyGQKLPANYTJXJQI-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.93
Rot. Bonds4

About 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole

3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole (PubChem CID 126536598) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole
PubChem CID126536598
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ncccc4n3)cccc21
InChIInChI=1S/C53H35N3O/c1-53(2)42-19-10-18-38(45-31-41(52-44(55-45)20-12-28-54-52)36-17-11-23-49-51(36)39-16-7-9-22-48(39)57-49)50(42)37-26-24-33(30-43(37)53)32-25-27-47-40(29-32)35-15-6-8-21-46(35)56(47)34-13-4-3-5-14-34/h3-31H,1-2H3
InChIKeyGQKLPANYTJXJQI-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 134594841
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole
CID 138475156
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
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole (CID 126536598) is 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ncccc4n3)cccc21.
What is the InChIKey of 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole?
The InChIKey is GQKLPANYTJXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-53(2)42-19-10-18-38(45-31-41(52-44(55-45)20-12-28-54-52)36-17-11-23-49-51(36)39-16-7-9-22-48(39)57-49)50(42)37-26-24-33(30-43(37)53)32-25-27-47-40(29-32)35-15-6-8-21-46(35)56(47)34-13-4-3-5-14-34/h3-31H,1-2H3.
What are the key properties of 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole?
3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole has a molecular weight of 729.88 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 126536598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).