N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine

C45H33NS — CID 140919448

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc21
InChIInChI=1S/C45H33NS/c1-45(2)41-19-11-9-17-36(41)37-26-25-34(29-42(37)45)46(33-15-7-4-8-16-33)35-27-39(44-40(28-35)38-18-10-12-20-43(38)47-44)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyNEYBXCAKIYJUIC-UHFFFAOYSA-N
MW619.83 g/mol
LogP13.16
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 140919448) has the molecular formula C45H33NS and a molecular weight of 619.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID140919448
Molecular FormulaC45H33NS
Molecular Weight619.83 g/mol
Exact Mass619.23
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc21
InChIInChI=1S/C45H33NS/c1-45(2)41-19-11-9-17-36(41)37-26-25-34(29-42(37)45)46(33-15-7-4-8-16-33)35-27-39(44-40(28-35)38-18-10-12-20-43(38)47-44)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h3-29H,1-2H3
InChIKeyNEYBXCAKIYJUIC-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-2-amine;4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 158296890
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158900066
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine (CID 140919448) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is NEYBXCAKIYJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NS/c1-45(2)41-19-11-9-17-36(41)37-26-25-34(29-42(37)45)46(33-15-7-4-8-16-33)35-27-39(44-40(28-35)38-18-10-12-20-43(38)47-44)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 619.83 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 140919448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).