N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine

C49H41NS — CID 176781079

IUPACN-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H41NS/c1-48(2,3)44-29-34(32-13-7-6-8-14-32)22-28-45(44)50(37-25-27-39-38-15-9-11-17-42(38)49(4,5)43(39)31-37)36-23-19-33(20-24-36)35-21-26-41-40-16-10-12-18-46(40)51-47(41)30-35/h6-31H,1-5H3
InChIKeyWECCWTLHAHUBEL-UHFFFAOYSA-N
MW675.94 g/mol
LogP14.46
Rot. Bonds5

About N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine

N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 176781079) has the molecular formula C49H41NS and a molecular weight of 675.94 g/mol. Its IUPAC name is N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID176781079
Molecular FormulaC49H41NS
Molecular Weight675.94 g/mol
Exact Mass675.30
IUPAC NameN-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H41NS/c1-48(2,3)44-29-34(32-13-7-6-8-14-32)22-28-45(44)50(37-25-27-39-38-15-9-11-17-42(38)49(4,5)43(39)31-37)36-23-19-33(20-24-36)35-21-26-41-40-16-10-12-18-46(40)51-47(41)30-35/h6-31H,1-5H3
InChIKeyWECCWTLHAHUBEL-UHFFFAOYSA-N
XLogP14.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.94
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Launch Full Analysis

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-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
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-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-(3,4-diphenylphenyl)triphenylen-2-amine
CID 177294573
N,N-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenylaniline;N-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159815958
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 176781079) is N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is WECCWTLHAHUBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NS/c1-48(2,3)44-29-34(32-13-7-6-8-14-32)22-28-45(44)50(37-25-27-39-38-15-9-11-17-42(38)49(4,5)43(39)31-37)36-23-19-33(20-24-36)35-21-26-41-40-16-10-12-18-46(40)51-47(41)30-35/h6-31H,1-5H3.
What are the key properties of N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 675.94 g/mol, XLogP of 14.46, 5 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-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 176781079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).