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

C80H49N3O4 — CID 158033258

IUPAC8-(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
SMILESO=c1oc2ccccc2c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12.O=c1oc2ccccc2c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C49H30N2O2.C31H19NO2/c52-49-43-29-31(19-23-37(43)40-16-8-10-18-48(40)53-49)34-20-24-39-42-28-33(22-26-46(42)51(47(39)30-34)36-13-5-2-6-14-36)32-21-25-45-41(27-32)38-15-7-9-17-44(38)50(45)35-11-3-1-4-12-35;33-31-27-19-21(15-18-23(27)26-9-3-6-12-30(26)34-31)20-13-16-22(17-14-20)32-28-10-4-1-7-24(28)25-8-2-5-11-29(25)32/h1-30H;1-19H
InChIKeyFHLAGPHHDFHGFL-UHFFFAOYSA-N
MW1116.29 g/mol
LogP20.18
Rot. Bonds6

About 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

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 (PubChem CID 158033258) has the molecular formula C80H49N3O4 and a molecular weight of 1116.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID158033258
Molecular FormulaC80H49N3O4
Molecular Weight1116.29 g/mol
Exact Mass1115.37
IUPAC Name8-(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
SMILESO=c1oc2ccccc2c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12.O=c1oc2ccccc2c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C49H30N2O2.C31H19NO2/c52-49-43-29-31(19-23-37(43)40-16-8-10-18-48(40)53-49)34-20-24-39-42-28-33(22-26-46(42)51(47(39)30-34)36-13-5-2-6-14-36)32-21-25-45-41(27-32)38-15-7-9-17-44(38)50(45)35-11-3-1-4-12-35;33-31-27-19-21(15-18-23(27)26-9-3-6-12-30(26)34-31)20-13-16-22(17-14-20)32-28-10-4-1-7-24(28)25-8-2-5-11-29(25)32/h1-30H;1-19H
InChIKeyFHLAGPHHDFHGFL-UHFFFAOYSA-N
XLogP20.18
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.29
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 145049959
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
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
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
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
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1oc2ccccc2c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12.O=c1oc2ccccc2c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c3)cc12.
What is the InChIKey of 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?
The InChIKey is FHLAGPHHDFHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2.C31H19NO2/c52-49-43-29-31(19-23-37(43)40-16-8-10-18-48(40)53-49)34-20-24-39-42-28-33(22-26-46(42)51(47(39)30-34)36-13-5-2-6-14-36)32-21-25-45-41(27-32)38-15-7-9-17-44(38)50(45)35-11-3-1-4-12-35;33-31-27-19-21(15-18-23(27)26-9-3-6-12-30(26)34-31)20-13-16-22(17-14-20)32-28-10-4-1-7-24(28)25-8-2-5-11-29(25)32/h1-30H;1-19H.
What are the key properties of 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?
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 has a molecular weight of 1116.29 g/mol, XLogP of 20.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158033258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).