N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C55H45NS — CID 176781264

IUPACN-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)sc2ccc(-c4ccccc4)cc23)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)50-33-40(41-22-28-46-47-32-39(37-16-10-7-11-17-37)24-31-52(47)57-53(46)34-41)23-30-51(50)56(42-25-20-38(21-26-42)36-14-8-6-9-15-36)43-27-29-45-44-18-12-13-19-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3
InChIKeyXOMPAMKELDMSJW-UHFFFAOYSA-N
MW752.04 g/mol
LogP16.13
Rot. Bonds6

About N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176781264) has the molecular formula C55H45NS and a molecular weight of 752.04 g/mol. Its IUPAC name is N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID176781264
Molecular FormulaC55H45NS
Molecular Weight752.04 g/mol
Exact Mass751.33
IUPAC NameN-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)sc2ccc(-c4ccccc4)cc23)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)50-33-40(41-22-28-46-47-32-39(37-16-10-7-11-17-37)24-31-52(47)57-53(46)34-41)23-30-51(50)56(42-25-20-38(21-26-42)36-14-8-6-9-15-36)43-27-29-45-44-18-12-13-19-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3
InChIKeyXOMPAMKELDMSJW-UHFFFAOYSA-N
XLogP16.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.04
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781127
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 176781264) is N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc(-c2ccc3c(c2)sc2ccc(-c4ccccc4)cc23)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XOMPAMKELDMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NS/c1-54(2,3)50-33-40(41-22-28-46-47-32-39(37-16-10-7-11-17-37)24-31-52(47)57-53(46)34-41)23-30-51(50)56(42-25-20-38(21-26-42)36-14-8-6-9-15-36)43-27-29-45-44-18-12-13-19-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3.
What are the key properties of N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 752.04 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176781264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).