N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine

C40H22FNO2 — CID 176881700

IUPACN-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
SMILESFc1ccc2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)ccc4ccc1c2c43
InChIInChI=1S/C40H22FNO2/c41-33-17-11-23-10-16-30-34(18-12-24-9-15-29(33)39(23)40(24)30)42(25-13-19-37-31(21-25)27-5-1-3-7-35(27)43-37)26-14-20-38-32(22-26)28-6-2-4-8-36(28)44-38/h1-22H
InChIKeyIEWWOPOLYCFPRW-UHFFFAOYSA-N
MW567.62 g/mol
LogP11.99
Rot. Bonds3

About N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine

N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine (PubChem CID 176881700) has the molecular formula C40H22FNO2 and a molecular weight of 567.62 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
PubChem CID176881700
Molecular FormulaC40H22FNO2
Molecular Weight567.62 g/mol
Exact Mass567.16
IUPAC NameN-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
SMILESFc1ccc2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)ccc4ccc1c2c43
InChIInChI=1S/C40H22FNO2/c41-33-17-11-23-10-16-30-34(18-12-24-9-15-29(33)39(23)40(24)30)42(25-13-19-37-31(21-25)27-5-1-3-7-35(27)43-37)26-14-20-38-32(22-26)28-6-2-4-8-36(28)44-38/h1-22H
InChIKeyIEWWOPOLYCFPRW-UHFFFAOYSA-N
XLogP11.99
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 167413042
7-bromo-N-phenyl-N-pyren-1-yldibenzofuran-2-amine
CID 168745462
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
CID 176881362
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
CID 155008946
N,N-di(dibenzofuran-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631324

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine (CID 176881700) is N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine is Fc1ccc2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)ccc4ccc1c2c43.
What is the InChIKey of N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine?
The InChIKey is IEWWOPOLYCFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22FNO2/c41-33-17-11-23-10-16-30-34(18-12-24-9-15-29(33)39(23)40(24)30)42(25-13-19-37-31(21-25)27-5-1-3-7-35(27)43-37)26-14-20-38-32(22-26)28-6-2-4-8-36(28)44-38/h1-22H.
What are the key properties of N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine has a molecular weight of 567.62 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).