N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C55H45NS — CID 176781127

IUPACN-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc3sc4c(-c5ccccc5)cccc4c3c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)50-34-40(39-26-32-52-47(33-39)46-21-14-20-43(53(46)57-52)38-17-10-7-11-18-38)25-31-51(50)56(41-27-23-37(24-28-41)36-15-8-6-9-16-36)42-29-30-45-44-19-12-13-22-48(44)55(4,5)49(45)35-42/h6-35H,1-5H3
InChIKeyIYJWDOPHLWGWRZ-UHFFFAOYSA-N
MW752.04 g/mol
LogP16.13
Rot. Bonds6

About N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176781127) has the molecular formula C55H45NS and a molecular weight of 752.04 g/mol. Its IUPAC name is N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID176781127
Molecular FormulaC55H45NS
Molecular Weight752.04 g/mol
Exact Mass751.33
IUPAC NameN-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc3sc4c(-c5ccccc5)cccc4c3c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)50-34-40(39-26-32-52-47(33-39)46-21-14-20-43(53(46)57-52)38-17-10-7-11-18-38)25-31-51(50)56(41-27-23-37(24-28-41)36-15-8-6-9-16-36)42-29-30-45-44-19-12-13-22-48(44)55(4,5)49(45)35-42/h6-35H,1-5H3
InChIKeyIYJWDOPHLWGWRZ-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-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781264
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenyldibenzothiophen-4-yl)phenyl]phenanthren-9-amine
CID 134464857
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
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-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566
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

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 176781127) is N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc(-c2ccc3sc4c(-c5ccccc5)cccc4c3c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is IYJWDOPHLWGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NS/c1-54(2,3)50-34-40(39-26-32-52-47(33-39)46-21-14-20-43(53(46)57-52)38-17-10-7-11-18-38)25-31-51(50)56(41-27-23-37(24-28-41)36-15-8-6-9-16-36)42-29-30-45-44-19-12-13-22-48(44)55(4,5)49(45)35-42/h6-35H,1-5H3.
What are the key properties of N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-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-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176781127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).