2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one

C67H39N3O3 — CID 90379936

IUPAC2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2n1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C67H39N3O3/c71-67-52-16-2-1-11-47(52)53-36-42(43-24-31-61-55(37-43)49-13-4-8-18-59(49)69(61)46-29-34-66-57(39-46)51-15-6-10-20-64(51)73-66)25-32-62(53)70(67)44-26-21-40(22-27-44)41-23-30-60-54(35-41)48-12-3-7-17-58(48)68(60)45-28-33-65-56(38-45)50-14-5-9-19-63(50)72-65/h1-39H
InChIKeyLJFFTYJTNXRJET-UHFFFAOYSA-N
MW934.07 g/mol
LogP17.47
Rot. Bonds5

About 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one

2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one (PubChem CID 90379936) has the molecular formula C67H39N3O3 and a molecular weight of 934.07 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
PubChem CID90379936
Molecular FormulaC67H39N3O3
Molecular Weight934.07 g/mol
Exact Mass933.30
IUPAC Name2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2n1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C67H39N3O3/c71-67-52-16-2-1-11-47(52)53-36-42(43-24-31-61-55(37-43)49-13-4-8-18-59(49)69(61)46-29-34-66-57(39-46)51-15-6-10-20-64(51)73-66)25-32-62(53)70(67)44-26-21-40(22-27-44)41-23-30-60-54(35-41)48-12-3-7-17-58(48)68(60)45-28-33-65-56(38-45)50-14-5-9-19-63(50)72-65/h1-39H
InChIKeyLJFFTYJTNXRJET-UHFFFAOYSA-N
XLogP17.47
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.07
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one?
The IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one (CID 90379936) is 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one.
What is the SMILES notation for 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one?
The canonical SMILES for 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2n1-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one?
The InChIKey is LJFFTYJTNXRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N3O3/c71-67-52-16-2-1-11-47(52)53-36-42(43-24-31-61-55(37-43)49-13-4-8-18-59(49)69(61)46-29-34-66-57(39-46)51-15-6-10-20-64(51)73-66)25-32-62(53)70(67)44-26-21-40(22-27-44)41-23-30-60-54(35-41)48-12-3-7-17-58(48)68(60)45-28-33-65-56(38-45)50-14-5-9-19-63(50)72-65/h1-39H.
What are the key properties of 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one?
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one has a molecular weight of 934.07 g/mol, XLogP of 17.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one is sourced from PubChem (CID 90379936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).