N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine

C48H39NS — CID 163699330

IUPACN-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)c3)ccc2C1(C)C
InChIInChI=1S/C48H39NS/c1-47(2)41-27-25-34(32-15-7-5-8-16-32)30-39(41)40-31-35(26-28-42(40)48(47,3)4)33-17-13-20-37(29-33)49(36-18-9-6-10-19-36)43-22-14-24-45-46(43)38-21-11-12-23-44(38)50-45/h5-31H,1-4H3
InChIKeyQWWUFEHGDOQPSE-UHFFFAOYSA-N
MW661.91 g/mol
LogP14.09
Rot. Bonds5

About N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine

N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 163699330) has the molecular formula C48H39NS and a molecular weight of 661.91 g/mol. Its IUPAC name is N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine
PubChem CID163699330
Molecular FormulaC48H39NS
Molecular Weight661.91 g/mol
Exact Mass661.28
IUPAC NameN-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)c3)ccc2C1(C)C
InChIInChI=1S/C48H39NS/c1-47(2)41-27-25-34(32-15-7-5-8-16-32)30-39(41)40-31-35(26-28-42(40)48(47,3)4)33-17-13-20-37(29-33)49(36-18-9-6-10-19-36)43-22-14-24-45-46(43)38-21-11-12-23-44(38)50-45/h5-31H,1-4H3
InChIKeyQWWUFEHGDOQPSE-UHFFFAOYSA-N
XLogP14.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.91
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine with MolForge

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Related Compounds

N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 167177582
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine (CID 163699330) is N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)c3)ccc2C1(C)C.
What is the InChIKey of N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is QWWUFEHGDOQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39NS/c1-47(2)41-27-25-34(32-15-7-5-8-16-32)30-39(41)40-31-35(26-28-42(40)48(47,3)4)33-17-13-20-37(29-33)49(36-18-9-6-10-19-36)43-22-14-24-45-46(43)38-21-11-12-23-44(38)50-45/h5-31H,1-4H3.
What are the key properties of N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine?
N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 661.91 g/mol, XLogP of 14.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 163699330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).