4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene

C91H60OS — CID 167635789

IUPAC4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C47H32O.C44H28S/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42/h3-28H,1-2H3;1-28H
InChIKeyOLODSAYFAGEHGX-UHFFFAOYSA-N
MW1201.55 g/mol
LogP26.23
Rot. Bonds7

About 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene

4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene (PubChem CID 167635789) has the molecular formula C91H60OS and a molecular weight of 1201.55 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene
PubChem CID167635789
Molecular FormulaC91H60OS
Molecular Weight1201.55 g/mol
Exact Mass1200.44
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C47H32O.C44H28S/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42/h3-28H,1-2H3;1-28H
InChIKeyOLODSAYFAGEHGX-UHFFFAOYSA-N
XLogP26.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.55
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran
CID 167663659
4-dibenzofuran-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzofuran
CID 158249190
4-(9,9-dimethylfluoren-2-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169770
9,9-dimethyl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132696
20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 163707379
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
CID 169280264
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426022
7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzothiole
CID 122426130
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
9,9-dimethyl-N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132714
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene (CID 167635789) is 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene?
The InChIKey is OLODSAYFAGEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O.C44H28S/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42/h3-28H,1-2H3;1-28H.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene?
4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene has a molecular weight of 1201.55 g/mol, XLogP of 26.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 167635789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).