5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one

C45H29NO2 — CID 142363103

IUPAC5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-c2ccc3c(c2)oc2ccccc23)c2ccccc2c1-c1ccc(-n2c(=O)c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H29NO2/c1-3-31-32(4-2)44(29-23-26-36-35-15-10-12-20-41(35)48-42(36)27-29)38-17-7-6-16-37(38)43(31)28-21-24-30(25-22-28)46-40-19-11-9-14-34(40)33-13-5-8-18-39(33)45(46)47/h3-27H,1-2H2
InChIKeySVHFTVYLTHHWEZ-UHFFFAOYSA-N
MW615.73 g/mol
LogP11.82
Rot. Bonds5

About 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one

5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one (PubChem CID 142363103) has the molecular formula C45H29NO2 and a molecular weight of 615.73 g/mol. Its IUPAC name is 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
PubChem CID142363103
Molecular FormulaC45H29NO2
Molecular Weight615.73 g/mol
Exact Mass615.22
IUPAC Name5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-c2ccc3c(c2)oc2ccccc23)c2ccccc2c1-c1ccc(-n2c(=O)c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H29NO2/c1-3-31-32(4-2)44(29-23-26-36-35-15-10-12-20-41(35)48-42(36)27-29)38-17-7-6-16-37(38)43(31)28-21-24-30(25-22-28)46-40-19-11-9-14-34(40)33-13-5-8-18-39(33)45(46)47/h3-27H,1-2H2
InChIKeySVHFTVYLTHHWEZ-UHFFFAOYSA-N
XLogP11.82
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
CID 90379936
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one
CID 145050011
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one?
The IUPAC name of 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one (CID 142363103) is 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one.
What is the SMILES notation for 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one?
The canonical SMILES for 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one is C=Cc1c(C=C)c(-c2ccc3c(c2)oc2ccccc23)c2ccccc2c1-c1ccc(-n2c(=O)c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one?
The InChIKey is SVHFTVYLTHHWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO2/c1-3-31-32(4-2)44(29-23-26-36-35-15-10-12-20-41(35)48-42(36)27-29)38-17-7-6-16-37(38)43(31)28-21-24-30(25-22-28)46-40-19-11-9-14-34(40)33-13-5-8-18-39(33)45(46)47/h3-27H,1-2H2.
What are the key properties of 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one?
5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one has a molecular weight of 615.73 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 142363103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).