8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one

C43H25NO3 — CID 121242474

IUPAC8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C43H25NO3/c45-43-37-23-26(27-17-21-41-36(22-27)34-11-5-7-13-40(34)46-41)14-18-31(37)35-20-16-29(25-42(35)47-43)28-15-19-33-32-10-4-6-12-38(32)44(39(33)24-28)30-8-2-1-3-9-30/h1-25H
InChIKeyHUVPNVXYIAGJDZ-UHFFFAOYSA-N
MW603.68 g/mol
LogP11.28
Rot. Bonds3

About 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one

8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one (PubChem CID 121242474) has the molecular formula C43H25NO3 and a molecular weight of 603.68 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
PubChem CID121242474
Molecular FormulaC43H25NO3
Molecular Weight603.68 g/mol
Exact Mass603.18
IUPAC Name8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C43H25NO3/c45-43-37-23-26(27-17-21-41-36(22-27)34-11-5-7-13-40(34)46-41)14-18-31(37)35-20-16-29(25-42(35)47-43)28-15-19-33-32-10-4-6-12-38(32)44(39(33)24-28)30-8-2-1-3-9-30/h1-25H
InChIKeyHUVPNVXYIAGJDZ-UHFFFAOYSA-N
XLogP11.28
TPSA48.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 145049959
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one (CID 121242474) is 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one is O=c1oc2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12.
What is the InChIKey of 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one?
The InChIKey is HUVPNVXYIAGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO3/c45-43-37-23-26(27-17-21-41-36(22-27)34-11-5-7-13-40(34)46-41)14-18-31(37)35-20-16-29(25-42(35)47-43)28-15-19-33-32-10-4-6-12-38(32)44(39(33)24-28)30-8-2-1-3-9-30/h1-25H.
What are the key properties of 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one?
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one has a molecular weight of 603.68 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).