3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole

C34H20BrNO — CID 129180922

IUPAC3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole
SMILESBrc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc12
InChIInChI=1S/C34H20BrNO/c35-24-14-15-27-29-19-23(13-17-33(29)37-34(27)20-24)22-12-16-32-28(18-22)26-9-3-4-10-31(26)36(32)30-11-5-7-21-6-1-2-8-25(21)30/h1-20H
InChIKeyFLLPNJYYUGCULO-UHFFFAOYSA-N
MW538.44 g/mol
LogP10.27
Rot. Bonds2

About 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole

3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 129180922) has the molecular formula C34H20BrNO and a molecular weight of 538.44 g/mol. Its IUPAC name is 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole
PubChem CID129180922
Molecular FormulaC34H20BrNO
Molecular Weight538.44 g/mol
Exact Mass537.07
IUPAC Name3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole
SMILESBrc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc12
InChIInChI=1S/C34H20BrNO/c35-24-14-15-27-29-19-23(13-17-33(29)37-34(27)20-24)22-12-16-32-28(18-22)26-9-3-4-10-31(26)36(32)30-11-5-7-21-6-1-2-8-25(21)30/h1-20H
InChIKeyFLLPNJYYUGCULO-UHFFFAOYSA-N
XLogP10.27
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 121311213
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 159963365
9-(10-dibenzofuran-2-yltetracen-1-yl)carbazole;ethane
CID 145009292
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

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole (CID 129180922) is 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole is Brc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc12.
What is the InChIKey of 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is FLLPNJYYUGCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BrNO/c35-24-14-15-27-29-19-23(13-17-33(29)37-34(27)20-24)22-12-16-32-28(18-22)26-9-3-4-10-31(26)36(32)30-11-5-7-21-6-1-2-8-25(21)30/h1-20H.
What are the key properties of 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole?
3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole has a molecular weight of 538.44 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 129180922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).