2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene

C82H50O — CID 158099931

IUPAC2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
SMILESc1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C44H26.C38H24O/c1-4-29-14-16-33-18-22-37(39-24-20-31(6-1)41(29)43(33)39)28-12-10-27(11-13-28)35-8-3-9-36(26-35)38-23-19-34-17-15-30-5-2-7-32-21-25-40(38)44(34)42(30)32;1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-26H;1-24H
InChIKeyFPCYTMDJYODMGN-UHFFFAOYSA-N
MW1051.30 g/mol
LogP23.38
Rot. Bonds6

About 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene

2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene (PubChem CID 158099931) has the molecular formula C82H50O and a molecular weight of 1051.30 g/mol. Its IUPAC name is 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene.

Molecular Properties

Compound Name2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
PubChem CID158099931
Molecular FormulaC82H50O
Molecular Weight1051.30 g/mol
Exact Mass1050.39
IUPAC Name2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
SMILESc1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C44H26.C38H24O/c1-4-29-14-16-33-18-22-37(39-24-20-31(6-1)41(29)43(33)39)28-12-10-27(11-13-28)35-8-3-9-36(26-35)38-23-19-34-17-15-30-5-2-7-32-21-25-40(38)44(34)42(30)32;1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-26H;1-24H
InChIKeyFPCYTMDJYODMGN-UHFFFAOYSA-N
XLogP23.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.30
LogP ≤ 523.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158196418
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
2-[3-pyren-1-yl-2-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303206
2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264998
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
5-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyren-1-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 155008997
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?
The IUPAC name of 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene (CID 158099931) is 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene.
What is the SMILES notation for 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?
The canonical SMILES for 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene is c1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?
The InChIKey is FPCYTMDJYODMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26.C38H24O/c1-4-29-14-16-33-18-22-37(39-24-20-31(6-1)41(29)43(33)39)28-12-10-27(11-13-28)35-8-3-9-36(26-35)38-23-19-34-17-15-30-5-2-7-32-21-25-40(38)44(34)42(30)32;1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-26H;1-24H.
What are the key properties of 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene?
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene has a molecular weight of 1051.30 g/mol, XLogP of 23.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene is sourced from PubChem (CID 158099931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).