4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline

C63H52N2 — CID 163570430

IUPAC4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
SMILESCCCc1ccc2c(c1)c1cc(CC(C)C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C63H52N2/c1-4-16-44-25-37-60-57(40-44)58-41-45(39-43(2)3)26-38-61(58)65(60)53-34-32-52(33-35-53)64(50-21-12-7-13-22-50)51-30-27-46(28-31-51)49-29-36-56-59(42-49)63(48-19-10-6-11-20-48)55-24-15-14-23-54(55)62(56)47-17-8-5-9-18-47/h5-15,17-38,40-43H,4,16,39H2,1-3H3
InChIKeyFYWLBUOVHLNYJH-UHFFFAOYSA-N
MW837.12 g/mol
LogP17.71
Rot. Bonds11

About 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline

4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline (PubChem CID 163570430) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
PubChem CID163570430
Molecular FormulaC63H52N2
Molecular Weight837.12 g/mol
Exact Mass836.41
IUPAC Name4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
SMILESCCCc1ccc2c(c1)c1cc(CC(C)C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C63H52N2/c1-4-16-44-25-37-60-57(40-44)58-41-45(39-43(2)3)26-38-61(58)65(60)53-34-32-52(33-35-53)64(50-21-12-7-13-22-50)51-30-27-46(28-31-51)49-29-36-56-59(42-49)63(48-19-10-6-11-20-48)55-24-15-14-23-54(55)62(56)47-17-8-5-9-18-47/h5-15,17-38,40-43H,4,16,39H2,1-3H3
InChIKeyFYWLBUOVHLNYJH-UHFFFAOYSA-N
XLogP17.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 59306914
3-ethyl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-6-propylcarbazole
CID 147345719
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
3,6-bis[9-[3-(2-methylpropyl)phenyl]carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307104
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 59010605
6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 158721226

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline?
The IUPAC name of 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline (CID 163570430) is 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline is CCCc1ccc2c(c1)c1cc(CC(C)C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline?
The InChIKey is FYWLBUOVHLNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N2/c1-4-16-44-25-37-60-57(40-44)58-41-45(39-43(2)3)26-38-61(58)65(60)53-34-32-52(33-35-53)64(50-21-12-7-13-22-50)51-30-27-46(28-31-51)49-29-36-56-59(42-49)63(48-19-10-6-11-20-48)55-24-15-14-23-54(55)62(56)47-17-8-5-9-18-47/h5-15,17-38,40-43H,4,16,39H2,1-3H3.
What are the key properties of 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline?
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline has a molecular weight of 837.12 g/mol, XLogP of 17.71, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 163570430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).