N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine

C51H32FN3 — CID 123173523

IUPACN-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
SMILESFc1ccccc1N(c1ccccc1)c1c2ccccc2c(C=Cc2ccc3c4c2ccc2cccc(c24)n3-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C51H32FN3/c52-44-21-9-11-23-46(44)55(36-15-2-1-3-16-36)51-42-19-7-5-17-39(42)41(40-18-6-8-20-43(40)51)29-25-33-27-30-48-50-38(33)28-26-34-14-12-24-47(49(34)50)54(48)37-31-35-13-4-10-22-45(35)53-32-37/h1-32H
InChIKeyUAOANPFCBILGHA-UHFFFAOYSA-N
MW705.84 g/mol
LogP14.01
Rot. Bonds6

About N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine

N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine (PubChem CID 123173523) has the molecular formula C51H32FN3 and a molecular weight of 705.84 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
PubChem CID123173523
Molecular FormulaC51H32FN3
Molecular Weight705.84 g/mol
Exact Mass705.26
IUPAC NameN-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
SMILESFc1ccccc1N(c1ccccc1)c1c2ccccc2c(C=Cc2ccc3c4c2ccc2cccc(c24)n3-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C51H32FN3/c52-44-21-9-11-23-46(44)55(36-15-2-1-3-16-36)51-42-19-7-5-17-39(42)41(40-18-6-8-20-43(40)51)29-25-33-27-30-48-50-38(33)28-26-34-14-12-24-47(49(34)50)54(48)37-31-35-13-4-10-22-45(35)53-32-37/h1-32H
InChIKeyUAOANPFCBILGHA-UHFFFAOYSA-N
XLogP14.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.84
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine with MolForge

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Related Compounds

N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
CID 90360947
9-quinolin-3-ylcarbazole
CID 138984974
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 90128459
N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine
CID 90360950
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123555139
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-amine;9,9-dimethyl-N,N-diphenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(E)-3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]fluoren-2-amine;N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-amine
CID 161184638
9-N,10-N-bis(4-carbazol-9-ylphenyl)-9-N,10-N-dinaphthalen-1-ylanthracene-9,10-diamine
CID 58273829
N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 90306406
4-[(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-quinoxalin-5-ylamino]benzonitrile
CID 90306502
N-(4-isocyanophenyl)-15-phenyl-N-quinoxalin-5-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 140732114

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The IUPAC name of N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine (CID 123173523) is N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine is Fc1ccccc1N(c1ccccc1)c1c2ccccc2c(C=Cc2ccc3c4c2ccc2cccc(c24)n3-c2cnc3ccccc3c2)c2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The InChIKey is UAOANPFCBILGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32FN3/c52-44-21-9-11-23-46(44)55(36-15-2-1-3-16-36)51-42-19-7-5-17-39(42)41(40-18-6-8-20-43(40)51)29-25-33-27-30-48-50-38(33)28-26-34-14-12-24-47(49(34)50)54(48)37-31-35-13-4-10-22-45(35)53-32-37/h1-32H.
What are the key properties of N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine has a molecular weight of 705.84 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine is sourced from PubChem (CID 123173523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).