2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole

C44H29NO — CID 143850981

IUPAC2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)o4)cc3)cc3ccccc32)cc1
InChIInChI=1S/C44H29NO/c1-2-10-38(11-3-1)45-41-13-7-5-9-37(41)29-42(45)32-17-21-34(22-18-32)44-27-26-43(46-44)33-19-14-30(15-20-33)35-24-25-40-36(28-35)23-16-31-8-4-6-12-39(31)40/h1-29H
InChIKeyOCXXFYOUPHCMQI-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.20
Rot. Bonds5

About 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole

2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole (PubChem CID 143850981) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole.

Molecular Properties

Compound Name2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole
PubChem CID143850981
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)o4)cc3)cc3ccccc32)cc1
InChIInChI=1S/C44H29NO/c1-2-10-38(11-3-1)45-41-13-7-5-9-37(41)29-42(45)32-17-21-34(22-18-32)44-27-26-43(46-44)33-19-14-30(15-20-33)35-24-25-40-36(28-35)23-16-31-8-4-6-12-39(31)40/h1-29H
InChIKeyOCXXFYOUPHCMQI-UHFFFAOYSA-N
XLogP12.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole
CID 144756297
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 170671261
9-[4-[5-(4-carbazol-9-ylphenyl)furan-2-yl]phenyl]carbazole
CID 20781596
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 159578220
N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-naphthalen-2-ylindole
CID 144756284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole?
The IUPAC name of 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole (CID 143850981) is 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole.
What is the SMILES notation for 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole?
The canonical SMILES for 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole is c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)o4)cc3)cc3ccccc32)cc1.
What is the InChIKey of 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole?
The InChIKey is OCXXFYOUPHCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-10-38(11-3-1)45-41-13-7-5-9-37(41)29-42(45)32-17-21-34(22-18-32)44-27-26-43(46-44)33-19-14-30(15-20-33)35-24-25-40-36(28-35)23-16-31-8-4-6-12-39(31)40/h1-29H.
What are the key properties of 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole?
2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole has a molecular weight of 587.72 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole is sourced from PubChem (CID 143850981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).