N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine

C46H30FN3 — CID 90363953

IUPACN-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine
SMILESFc1ccccc1N(c1ccc2c(c1)-c1ccc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)cc1C2)c1ccccn1
InChIInChI=1S/C46H30FN3/c47-40-12-4-5-13-41(40)50(44-15-6-7-24-48-44)37-22-21-33-28-35-25-30(18-23-38(35)39(33)29-37)16-17-31-26-34-20-19-32-9-8-14-42-45(32)46(34)43(27-31)49(42)36-10-2-1-3-11-36/h1-27,29H,28H2/b17-16+
InChIKeyRMEQZBWFNIDULB-WUKNDPDISA-N
MW643.77 g/mol
LogP12.12
Rot. Bonds6

About N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine

N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine (PubChem CID 90363953) has the molecular formula C46H30FN3 and a molecular weight of 643.77 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine
PubChem CID90363953
Molecular FormulaC46H30FN3
Molecular Weight643.77 g/mol
Exact Mass643.24
IUPAC NameN-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine
SMILESFc1ccccc1N(c1ccc2c(c1)-c1ccc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)cc1C2)c1ccccn1
InChIInChI=1S/C46H30FN3/c47-40-12-4-5-13-41(40)50(44-15-6-7-24-48-44)37-22-21-33-28-35-25-30(18-23-38(35)39(33)29-37)16-17-31-26-34-20-19-32-9-8-14-42-45(32)46(34)43(27-31)49(42)36-10-2-1-3-11-36/h1-27,29H,28H2/b17-16+
InChIKeyRMEQZBWFNIDULB-WUKNDPDISA-N
XLogP12.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.77
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine (CID 90363953) is N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine is Fc1ccccc1N(c1ccc2c(c1)-c1ccc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)cc1C2)c1ccccn1.
What is the InChIKey of N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine?
The InChIKey is RMEQZBWFNIDULB-WUKNDPDISA-N. The full InChI is InChI=1S/C46H30FN3/c47-40-12-4-5-13-41(40)50(44-15-6-7-24-48-44)37-22-21-33-28-35-25-30(18-23-38(35)39(33)29-37)16-17-31-26-34-20-19-32-9-8-14-42-45(32)46(34)43(27-31)49(42)36-10-2-1-3-11-36/h1-27,29H,28H2/b17-16+.
What are the key properties of N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine?
N-(2-fluorophenyl)-N-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine has a molecular weight of 643.77 g/mol, XLogP of 12.12, 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-[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-3-yl)ethenyl]-9H-fluoren-3-yl]pyridin-2-amine is sourced from PubChem (CID 90363953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).