7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine

C63H45NS — CID 168837121

IUPAC7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)ccc2-3)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C63H45NS/c1-38-25-32-57(47-17-7-5-15-43(38)47)64(58-33-26-39(2)44-16-6-8-18-48(44)58)42-29-31-46-45-30-27-41(36-55(45)63(3,4)56(46)37-42)62-52-22-11-9-20-50(52)61(51-21-10-12-23-53(51)62)40-28-34-60-54(35-40)49-19-13-14-24-59(49)65-60/h5-37H,1-4H3
InChIKeyRFPQQGSJOUOSBF-UHFFFAOYSA-N
MW848.13 g/mol
LogP18.39
Rot. Bonds5

About 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine

7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine (PubChem CID 168837121) has the molecular formula C63H45NS and a molecular weight of 848.13 g/mol. Its IUPAC name is 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound Name7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
PubChem CID168837121
Molecular FormulaC63H45NS
Molecular Weight848.13 g/mol
Exact Mass847.33
IUPAC Name7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)ccc2-3)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C63H45NS/c1-38-25-32-57(47-17-7-5-15-43(38)47)64(58-33-26-39(2)44-16-6-8-18-48(44)58)42-29-31-46-45-30-27-41(36-55(45)63(3,4)56(46)37-42)62-52-22-11-9-20-50(52)61(51-21-10-12-23-53(51)62)40-28-34-60-54(35-40)49-19-13-14-24-59(49)65-60/h5-37H,1-4H3
InChIKeyRFPQQGSJOUOSBF-UHFFFAOYSA-N
XLogP18.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.13
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
CID 156522425
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 126745975
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dihexyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
CID 168837048
5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
CID 171573989
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 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine (CID 168837121) is 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)ccc2-3)c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine?
The InChIKey is RFPQQGSJOUOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NS/c1-38-25-32-57(47-17-7-5-15-43(38)47)64(58-33-26-39(2)44-16-6-8-18-48(44)58)42-29-31-46-45-30-27-41(36-55(45)63(3,4)56(46)37-42)62-52-22-11-9-20-50(52)61(51-21-10-12-23-53(51)62)40-28-34-60-54(35-40)49-19-13-14-24-59(49)65-60/h5-37H,1-4H3.
What are the key properties of 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine?
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine has a molecular weight of 848.13 g/mol, XLogP of 18.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,9-dimethyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 168837121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).