N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine

C45H32N4O — CID 146744290

IUPACN,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine
SMILESc1ccc(N(c2ccccc2)c2ccnc(-n3ccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1
InChIInChI=1S/C45H32N4O/c1-3-15-34(16-4-1)49(35-17-5-2-6-18-35)36-25-28-47-44(31-36)48-29-26-38(32-48)50-37-19-13-14-33(30-37)45(43-24-11-12-27-46-43)41-22-9-7-20-39(41)40-21-8-10-23-42(40)45/h1-32H
InChIKeyRLRRQFDDHZWDPL-UHFFFAOYSA-N
MW644.78 g/mol
LogP10.89
Rot. Bonds8

About N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine

N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine (PubChem CID 146744290) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine
PubChem CID146744290
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC NameN,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine
SMILESc1ccc(N(c2ccccc2)c2ccnc(-n3ccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1
InChIInChI=1S/C45H32N4O/c1-3-15-34(16-4-1)49(35-17-5-2-6-18-35)36-25-28-47-44(31-36)48-29-26-38(32-48)50-37-19-13-14-33(30-37)45(43-24-11-12-27-46-43)41-22-9-7-20-39(41)40-21-8-10-23-42(40)45/h1-32H
InChIKeyRLRRQFDDHZWDPL-UHFFFAOYSA-N
XLogP10.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine?
The IUPAC name of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine (CID 146744290) is N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine.
What is the SMILES notation for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine?
The canonical SMILES for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine is c1ccc(N(c2ccccc2)c2ccnc(-n3ccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c2)cc1.
What is the InChIKey of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine?
The InChIKey is RLRRQFDDHZWDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O/c1-3-15-34(16-4-1)49(35-17-5-2-6-18-35)36-25-28-47-44(31-36)48-29-26-38(32-48)50-37-19-13-14-33(30-37)45(43-24-11-12-27-46-43)41-22-9-7-20-39(41)40-21-8-10-23-42(40)45/h1-32H.
What are the key properties of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine?
N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine has a molecular weight of 644.78 g/mol, XLogP of 10.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]pyrrol-1-yl]pyridin-4-amine is sourced from PubChem (CID 146744290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).