1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione

C42H24N2O4 — CID 118655509

IUPAC1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C2C(=O)OC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=C12
InChIInChI=1S/C42H24N2O4/c45-41-37-38(40(48-41)26-20-22-36-32(24-26)30-16-8-10-18-34(30)44(36)28-13-5-2-6-14-28)42(46)47-39(37)25-19-21-35-31(23-25)29-15-7-9-17-33(29)43(35)27-11-3-1-4-12-27/h1-24H
InChIKeyWHUYDRVPDXXUHR-UHFFFAOYSA-N
MW620.66 g/mol
LogP9.12
Rot. Bonds4

About 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione

1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione (PubChem CID 118655509) has the molecular formula C42H24N2O4 and a molecular weight of 620.66 g/mol. Its IUPAC name is 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione.

Molecular Properties

Compound Name1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione
PubChem CID118655509
Molecular FormulaC42H24N2O4
Molecular Weight620.66 g/mol
Exact Mass620.17
IUPAC Name1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C2C(=O)OC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=C12
InChIInChI=1S/C42H24N2O4/c45-41-37-38(40(48-41)26-20-22-36-32(24-26)30-16-8-10-18-34(30)44(36)28-13-5-2-6-14-28)42(46)47-39(37)25-19-21-35-31(23-25)29-15-7-9-17-33(29)43(35)27-11-3-1-4-12-27/h1-24H
InChIKeyWHUYDRVPDXXUHR-UHFFFAOYSA-N
XLogP9.12
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.66
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(10-methylanthracen-9-yl)-9-phenylcarbazole
CID 121339805
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione?
The IUPAC name of 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione (CID 118655509) is 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione.
What is the SMILES notation for 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione?
The canonical SMILES for 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione is O=C1OC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C2C(=O)OC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=C12.
What is the InChIKey of 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione?
The InChIKey is WHUYDRVPDXXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2O4/c45-41-37-38(40(48-41)26-20-22-36-32(24-26)30-16-8-10-18-34(30)44(36)28-13-5-2-6-14-28)42(46)47-39(37)25-19-21-35-31(23-25)29-15-7-9-17-33(29)43(35)27-11-3-1-4-12-27/h1-24H.
What are the key properties of 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione?
1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione has a molecular weight of 620.66 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione is sourced from PubChem (CID 118655509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).