1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene

C49H32S — CID 146524823

IUPAC1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3sc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C49H32S/c1-4-16-33(17-5-1)41-32-42(48-47(40-24-12-15-27-45(40)50-48)46(41)35-18-6-2-7-19-35)34-28-30-37(31-29-34)49(36-20-8-3-9-21-36)43-25-13-10-22-38(43)39-23-11-14-26-44(39)49/h1-32H
InChIKeyMDQSUXHWOFAIAG-UHFFFAOYSA-N
MW652.86 g/mol
LogP13.42
Rot. Bonds5

About 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene

1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene (PubChem CID 146524823) has the molecular formula C49H32S and a molecular weight of 652.86 g/mol. Its IUPAC name is 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
PubChem CID146524823
Molecular FormulaC49H32S
Molecular Weight652.86 g/mol
Exact Mass652.22
IUPAC Name1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3sc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C49H32S/c1-4-16-33(17-5-1)41-32-42(48-47(40-24-12-15-27-45(40)50-48)46(41)35-18-6-2-7-19-35)34-28-30-37(31-29-34)49(36-20-8-3-9-21-36)43-25-13-10-22-38(43)39-23-11-14-26-44(39)49/h1-32H
InChIKeyMDQSUXHWOFAIAG-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 176624728
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The IUPAC name of 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene (CID 146524823) is 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The canonical SMILES for 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene is c1ccc(-c2cc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3sc4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The InChIKey is MDQSUXHWOFAIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32S/c1-4-16-33(17-5-1)41-32-42(48-47(40-24-12-15-27-45(40)50-48)46(41)35-18-6-2-7-19-35)34-28-30-37(31-29-34)49(36-20-8-3-9-21-36)43-25-13-10-22-38(43)39-23-11-14-26-44(39)49/h1-32H.
What are the key properties of 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene has a molecular weight of 652.86 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 146524823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).