N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine

C49H35NS — CID 167293330

IUPACN-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C49H35NS/c1-49(2)43-20-10-8-17-39(43)40-27-26-37(31-44(40)49)50(36-15-4-3-5-16-36)45-21-12-19-38(34-24-23-32-13-6-7-14-33(32)29-34)48(45)35-25-28-47-42(30-35)41-18-9-11-22-46(41)51-47/h3-31H,1-2H3
InChIKeyIJCHNNAHMSIEKG-UHFFFAOYSA-N
MW669.89 g/mol
LogP14.32
Rot. Bonds5

About N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine

N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 167293330) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID167293330
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC NameN-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C49H35NS/c1-49(2)43-20-10-8-17-39(43)40-27-26-37(31-44(40)49)50(36-15-4-3-5-16-36)45-21-12-19-38(34-24-23-32-13-6-7-14-33(32)29-34)48(45)35-25-28-47-42(30-35)41-18-9-11-22-46(41)51-47/h3-31H,1-2H3
InChIKeyIJCHNNAHMSIEKG-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.89
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
CID 156522425
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177281437
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 158215052

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine (CID 167293330) is N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5ccccc5c4)c3-c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is IJCHNNAHMSIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS/c1-49(2)43-20-10-8-17-39(43)40-27-26-37(31-44(40)49)50(36-15-4-3-5-16-36)45-21-12-19-38(34-24-23-32-13-6-7-14-33(32)29-34)48(45)35-25-28-47-42(30-35)41-18-9-11-22-46(41)51-47/h3-31H,1-2H3.
What are the key properties of N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine?
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 669.89 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 167293330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).