9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

C48H38N2S — CID 89365140

IUPAC9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESCCCCSn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C48H38N2S/c1-2-3-32-51-50-45-25-15-14-20-39(45)44-33-38(30-31-46(44)50)49(36-18-8-5-9-19-36)37-28-26-35(27-29-37)48-42-23-12-10-21-40(42)47(34-16-6-4-7-17-34)41-22-11-13-24-43(41)48/h4-31,33H,2-3,32H2,1H3
InChIKeyLNMOYCNBHBDVSE-UHFFFAOYSA-N
MW674.91 g/mol
LogP14.20
Rot. Bonds9

About 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (PubChem CID 89365140) has the molecular formula C48H38N2S and a molecular weight of 674.91 g/mol. Its IUPAC name is 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
PubChem CID89365140
Molecular FormulaC48H38N2S
Molecular Weight674.91 g/mol
Exact Mass674.28
IUPAC Name9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESCCCCSn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C48H38N2S/c1-2-3-32-51-50-45-25-15-14-20-39(45)44-33-38(30-31-46(44)50)49(36-18-8-5-9-19-36)37-28-26-35(27-29-37)48-42-23-12-10-21-40(42)47(34-16-6-4-7-17-34)41-22-11-13-24-43(41)48/h4-31,33H,2-3,32H2,1H3
InChIKeyLNMOYCNBHBDVSE-UHFFFAOYSA-N
XLogP14.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.91
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-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

9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657

Frequently Asked Questions

What is the IUPAC name of 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The IUPAC name of 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (CID 89365140) is 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is CCCCSn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.
What is the InChIKey of 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The InChIKey is LNMOYCNBHBDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2S/c1-2-3-32-51-50-45-25-15-14-20-39(45)44-33-38(30-31-46(44)50)49(36-18-8-5-9-19-36)37-28-26-35(27-29-37)48-42-23-12-10-21-40(42)47(34-16-6-4-7-17-34)41-22-11-13-24-43(41)48/h4-31,33H,2-3,32H2,1H3.
What are the key properties of 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine has a molecular weight of 674.91 g/mol, XLogP of 14.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 89365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).