8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole

C50H30N2O — CID 167243807

IUPAC8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4ccc5ccccc5c43)ccc2c1
InChIInChI=1S/C50H30N2O/c1-2-12-33-28-36(24-20-31(33)10-1)51-44-26-22-35(30-42(44)39-25-21-32-11-3-4-13-37(32)50(39)51)34-23-27-45-41(29-34)38-14-5-7-16-43(38)52(45)46-17-9-19-48-49(46)40-15-6-8-18-47(40)53-48/h1-30H
InChIKeyXZLSEHLRXXSZTO-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.75
Rot. Bonds3

About 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole

8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole (PubChem CID 167243807) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole.

Molecular Properties

Compound Name8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
PubChem CID167243807
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4ccc5ccccc5c43)ccc2c1
InChIInChI=1S/C50H30N2O/c1-2-12-33-28-36(24-20-31(33)10-1)51-44-26-22-35(30-42(44)39-25-21-32-11-3-4-13-37(32)50(39)51)34-23-27-45-41(29-34)38-14-5-7-16-43(38)52(45)46-17-9-19-48-49(46)40-15-6-8-18-47(40)53-48/h1-30H
InChIKeyXZLSEHLRXXSZTO-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
CID 167243655
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
11-phenyl-8-[9-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]benzo[a]carbazole
CID 134594977
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909

Frequently Asked Questions

What is the IUPAC name of 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole?
The IUPAC name of 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole (CID 167243807) is 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole.
What is the SMILES notation for 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole?
The canonical SMILES for 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole is c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)cc4c4ccc5ccccc5c43)ccc2c1.
What is the InChIKey of 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole?
The InChIKey is XZLSEHLRXXSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-12-33-28-36(24-20-31(33)10-1)51-44-26-22-35(30-42(44)39-25-21-32-11-3-4-13-37(32)50(39)51)34-23-27-45-41(29-34)38-14-5-7-16-43(38)52(45)46-17-9-19-48-49(46)40-15-6-8-18-47(40)53-48/h1-30H.
What are the key properties of 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole?
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole has a molecular weight of 674.80 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole is sourced from PubChem (CID 167243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).