9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C50H35NS — CID 122593326

IUPAC9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C50H35NS/c1-50(38-24-31-49-45(32-38)44-17-9-11-19-48(44)52-49)46-18-10-8-16-42(46)43-30-29-41(33-47(43)50)51(39-25-20-36(21-26-39)34-12-4-2-5-13-34)40-27-22-37(23-28-40)35-14-6-3-7-15-35/h2-33H,1H3
InChIKeyVIZYMQRBORYIHL-UHFFFAOYSA-N
MW681.90 g/mol
LogP14.19
Rot. Bonds6

About 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 122593326) has the molecular formula C50H35NS and a molecular weight of 681.90 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID122593326
Molecular FormulaC50H35NS
Molecular Weight681.90 g/mol
Exact Mass681.25
IUPAC Name9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C50H35NS/c1-50(38-24-31-49-45(32-38)44-17-9-11-19-48(44)52-49)46-18-10-8-16-42(46)43-30-29-41(33-47(43)50)51(39-25-20-36(21-26-39)34-12-4-2-5-13-34)40-27-22-37(23-28-40)35-14-6-3-7-15-35/h2-33H,1H3
InChIKeyVIZYMQRBORYIHL-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.90
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218562
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 122593326) is 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(c2ccc3sc4ccccc4c3c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VIZYMQRBORYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NS/c1-50(38-24-31-49-45(32-38)44-17-9-11-19-48(44)52-49)46-18-10-8-16-42(46)43-30-29-41(33-47(43)50)51(39-25-20-36(21-26-39)34-12-4-2-5-13-34)40-27-22-37(23-28-40)35-14-6-3-7-15-35/h2-33H,1H3.
What are the key properties of 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 681.90 g/mol, XLogP of 14.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122593326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).