6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

C108H84N4 — CID 161258382

IUPAC6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.CCCCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/2C54H42N2/c1-3-37(2)40-29-33-51-49(35-40)50-36-44(32-34-52(50)56(51)42-21-11-6-12-22-42)55(41-19-9-5-10-20-41)43-30-27-39(28-31-43)54-47-25-15-13-23-45(47)53(38-17-7-4-8-18-38)46-24-14-16-26-48(46)54;1-2-3-17-38-28-34-51-49(36-38)50-37-44(33-35-52(50)56(51)42-22-11-6-12-23-42)55(41-20-9-5-10-21-41)43-31-29-40(30-32-43)54-47-26-15-13-24-45(47)53(39-18-7-4-8-19-39)46-25-14-16-27-48(46)54/h4-37H,3H2,1-2H3;4-16,18-37H,2-3,17H2,1H3
InChIKeyVCFPUARWONUDOL-UHFFFAOYSA-N
MW1437.89 g/mol
LogP30.64
Rot. Bonds17

About 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (PubChem CID 161258382) has the molecular formula C108H84N4 and a molecular weight of 1437.89 g/mol. Its IUPAC name is 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
PubChem CID161258382
Molecular FormulaC108H84N4
Molecular Weight1437.89 g/mol
Exact Mass1436.67
IUPAC Name6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.CCCCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/2C54H42N2/c1-3-37(2)40-29-33-51-49(35-40)50-36-44(32-34-52(50)56(51)42-21-11-6-12-22-42)55(41-19-9-5-10-20-41)43-30-27-39(28-31-43)54-47-25-15-13-23-45(47)53(38-17-7-4-8-18-38)46-24-14-16-26-48(46)54;1-2-3-17-38-28-34-51-49(36-38)50-37-44(33-35-52(50)56(51)42-22-11-6-12-23-42)55(41-20-9-5-10-21-41)43-31-29-40(30-32-43)54-47-26-15-13-24-45(47)53(39-18-7-4-8-19-39)46-25-14-16-27-48(46)54/h4-37H,3H2,1-2H3;4-16,18-37H,2-3,17H2,1H3
InChIKeyVCFPUARWONUDOL-UHFFFAOYSA-N
XLogP30.64
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.89
LogP ≤ 530.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 152855009
N-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159873717
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole
CID 158305492
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
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
6-ethyl-N-[4-[10-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[3-methyl-10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159561442

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The IUPAC name of 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (CID 161258382) is 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is CCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.CCCCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The InChIKey is VCFPUARWONUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H42N2/c1-3-37(2)40-29-33-51-49(35-40)50-36-44(32-34-52(50)56(51)42-21-11-6-12-22-42)55(41-19-9-5-10-20-41)43-30-27-39(28-31-43)54-47-25-15-13-23-45(47)53(38-17-7-4-8-18-38)46-24-14-16-26-48(46)54;1-2-3-17-38-28-34-51-49(36-38)50-37-44(33-35-52(50)56(51)42-22-11-6-12-23-42)55(41-20-9-5-10-21-41)43-31-29-40(30-32-43)54-47-26-15-13-24-45(47)53(39-18-7-4-8-19-39)46-25-14-16-27-48(46)54/h4-37H,3H2,1-2H3;4-16,18-37H,2-3,17H2,1H3.
What are the key properties of 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine has a molecular weight of 1437.89 g/mol, XLogP of 30.64, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 161258382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).