buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

C57H48N2 — CID 143301600

IUPACbuta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESC=CC=C.CC.Cc1ccccc1-c1c2ccccc2c(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c2ccccc12
InChIInChI=1S/C51H36N2.C4H6.C2H6/c1-35-16-8-9-21-41(35)51-45-25-12-10-23-43(45)50(44-24-11-13-26-46(44)51)36-28-30-39(31-29-36)53-48-27-15-14-22-42(48)47-34-40(32-33-49(47)53)52(37-17-4-2-5-18-37)38-19-6-3-7-20-38;1-3-4-2;1-2/h2-34H,1H3;3-4H,1-2H2;1-2H3
InChIKeyTXUWULDXHSSYEE-UHFFFAOYSA-N
MW761.02 g/mol
LogP16.59
Rot. Bonds7

About buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 143301600) has the molecular formula C57H48N2 and a molecular weight of 761.02 g/mol. Its IUPAC name is buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID143301600
Molecular FormulaC57H48N2
Molecular Weight761.02 g/mol
Exact Mass760.38
IUPAC Namebuta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESC=CC=C.CC.Cc1ccccc1-c1c2ccccc2c(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c2ccccc12
InChIInChI=1S/C51H36N2.C4H6.C2H6/c1-35-16-8-9-21-41(35)51-45-25-12-10-23-43(45)50(44-24-11-13-26-46(44)51)36-28-30-39(31-29-36)53-48-27-15-14-22-42(48)47-34-40(32-33-49(47)53)52(37-17-4-2-5-18-37)38-19-6-3-7-20-38;1-3-4-2;1-2/h2-34H,1H3;3-4H,1-2H2;1-2H3
InChIKeyTXUWULDXHSSYEE-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-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

N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 59844568
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 143301600) is buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is C=CC=C.CC.Cc1ccccc1-c1c2ccccc2c(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c2ccccc12.
What is the InChIKey of buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is TXUWULDXHSSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.C4H6.C2H6/c1-35-16-8-9-21-41(35)51-45-25-12-10-23-43(45)50(44-24-11-13-26-46(44)51)36-28-30-39(31-29-36)53-48-27-15-14-22-42(48)47-34-40(32-33-49(47)53)52(37-17-4-2-5-18-37)38-19-6-3-7-20-38;1-3-4-2;1-2/h2-34H,1H3;3-4H,1-2H2;1-2H3.
What are the key properties of buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 761.02 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 143301600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).