12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole

C44H27NO — CID 144740954

IUPAC12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole
SMILESC=Cc1c(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ccccc23)ccc2c1C(=C)c1ccccc1-2
InChIInChI=1S/C44H27NO/c1-3-27-31(20-21-36-29-13-5-4-12-28(29)26(2)42(27)36)32-24-25-40(33-15-7-6-14-30(32)33)45-39-18-10-8-16-34(39)37-22-23-38-35-17-9-11-19-41(35)46-44(38)43(37)45/h3-25H,1-2H2
InChIKeyQDDAFIGZNUKIMU-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.19
Rot. Bonds3

About 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole

12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 144740954) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID144740954
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole
SMILESC=Cc1c(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ccccc23)ccc2c1C(=C)c1ccccc1-2
InChIInChI=1S/C44H27NO/c1-3-27-31(20-21-36-29-13-5-4-12-28(29)26(2)42(27)36)32-24-25-40(33-15-7-6-14-30(32)33)45-39-18-10-8-16-34(39)37-22-23-38-35-17-9-11-19-41(35)46-44(38)43(37)45/h3-25H,1-2H2
InChIKeyQDDAFIGZNUKIMU-UHFFFAOYSA-N
XLogP12.19
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
CID 70658695
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780567
5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
4-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 58510780

Frequently Asked Questions

What is the IUPAC name of 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole (CID 144740954) is 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole is C=Cc1c(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ccccc23)ccc2c1C(=C)c1ccccc1-2.
What is the InChIKey of 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is QDDAFIGZNUKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-3-27-31(20-21-36-29-13-5-4-12-28(29)26(2)42(27)36)32-24-25-40(33-15-7-6-14-30(32)33)45-39-18-10-8-16-34(39)37-22-23-38-35-17-9-11-19-41(35)46-44(38)43(37)45/h3-25H,1-2H2.
What are the key properties of 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole?
12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 585.71 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 144740954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).