N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine

C50H32F2N2 — CID 59211090

IUPACN-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C50H32F2N2/c51-35-25-21-33(22-26-35)48-42-15-4-5-16-43(42)49(34-23-27-36(52)28-24-34)50-44(48)17-10-20-47(50)53(37-11-2-1-3-12-37)38-29-31-39(32-30-38)54-45-18-8-6-13-40(45)41-14-7-9-19-46(41)54/h1-32H
InChIKeyQGAPTSUSBRNRQX-UHFFFAOYSA-N
MW698.82 g/mol
LogP14.17
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine

N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine (PubChem CID 59211090) has the molecular formula C50H32F2N2 and a molecular weight of 698.82 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine
PubChem CID59211090
Molecular FormulaC50H32F2N2
Molecular Weight698.82 g/mol
Exact Mass698.25
IUPAC NameN-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C50H32F2N2/c51-35-25-21-33(22-26-35)48-42-15-4-5-16-43(42)49(34-23-27-36(52)28-24-34)50-44(48)17-10-20-47(50)53(37-11-2-1-3-12-37)38-29-31-39(32-30-38)54-45-18-8-6-13-40(45)41-14-7-9-19-46(41)54/h1-32H
InChIKeyQGAPTSUSBRNRQX-UHFFFAOYSA-N
XLogP14.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.82
LogP ≤ 514.17
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

4-[10-(4-carboxyphenyl)-4-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]benzoic acid
CID 59211126
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-amine
CID 158911182
N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
CID 138548978
N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine
CID 163655414
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline
CID 143088757
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-1-amine;N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 159313208
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
2-(4-fluorophenyl)-N,N,9-triphenylcarbazol-3-amine
CID 155051741
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline;ethane
CID 143088756

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine (CID 59211090) is N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine is Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine?
The InChIKey is QGAPTSUSBRNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F2N2/c51-35-25-21-33(22-26-35)48-42-15-4-5-16-43(42)49(34-23-27-36(52)28-24-34)50-44(48)17-10-20-47(50)53(37-11-2-1-3-12-37)38-29-31-39(32-30-38)54-45-18-8-6-13-40(45)41-14-7-9-19-46(41)54/h1-32H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine?
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine has a molecular weight of 698.82 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine is sourced from PubChem (CID 59211090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).