7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine

C62H37FN2O2 — CID 121325424

IUPAC7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine
SMILESFc1cccc(-c2ccc3c(c2)oc2c(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)cccc23)c1
InChIInChI=1S/C62H37FN2O2/c63-41-17-10-16-38(35-41)39-33-34-46-49-26-12-30-54(61(49)67-58(46)37-39)65(56-36-40-15-4-5-20-43(40)44-21-6-7-22-45(44)56)55-31-13-27-51-60-48(25-14-32-57(60)66-62(51)55)47-24-11-29-53-59(47)50-23-8-9-28-52(50)64(53)42-18-2-1-3-19-42/h1-37H
InChIKeyVOEVDCUZZHSVFY-UHFFFAOYSA-N
MW860.99 g/mol
LogP17.83
Rot. Bonds6

About 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine

7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine (PubChem CID 121325424) has the molecular formula C62H37FN2O2 and a molecular weight of 860.99 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine
PubChem CID121325424
Molecular FormulaC62H37FN2O2
Molecular Weight860.99 g/mol
Exact Mass860.28
IUPAC Name7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine
SMILESFc1cccc(-c2ccc3c(c2)oc2c(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)cccc23)c1
InChIInChI=1S/C62H37FN2O2/c63-41-17-10-16-38(35-41)39-33-34-46-49-26-12-30-54(61(49)67-58(46)37-39)65(56-36-40-15-4-5-20-43(40)44-21-6-7-22-45(44)56)55-31-13-27-51-60-48(25-14-32-57(60)66-62(51)55)47-24-11-29-53-59(47)50-23-8-9-28-52(50)64(53)42-18-2-1-3-19-42/h1-37H
InChIKeyVOEVDCUZZHSVFY-UHFFFAOYSA-N
XLogP17.83
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.99
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 165437402
4-(Phenanthro(9,10-d)oxazol-2-yl)phenyl isothiocyanate
CID 5046349
12-(2-Fluorophenyl)-10-oxa-13-azaheptacyclo[15.12.0.02,14.03,11.04,9.020,29.023,28]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20(29),21,23,25,27-tetradecaene
CID 176729842
Ethyl 1-benzyl-9-methoxybenzo[f]indole-2-carboxylate
CID 14248867
1-(2,3,6,7-Tetraphenylfuro[2,3-f]indol-5-yl)ethanone
CID 134947530
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
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CID 86045140
11-Phenylbenzofuro[3,2-b]carbazole
CID 102324620
N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247
N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
CID 121274496
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CID 134959647
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-methoxynaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine?
The IUPAC name of 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine (CID 121325424) is 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine.
What is the SMILES notation for 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine?
The canonical SMILES for 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine is Fc1cccc(-c2ccc3c(c2)oc2c(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)cccc23)c1.
What is the InChIKey of 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine?
The InChIKey is VOEVDCUZZHSVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37FN2O2/c63-41-17-10-16-38(35-41)39-33-34-46-49-26-12-30-54(61(49)67-58(46)37-39)65(56-36-40-15-4-5-20-43(40)44-21-6-7-22-45(44)56)55-31-13-27-51-60-48(25-14-32-57(60)66-62(51)55)47-24-11-29-53-59(47)50-23-8-9-28-52(50)64(53)42-18-2-1-3-19-42/h1-37H.
What are the key properties of 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine?
7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine has a molecular weight of 860.99 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine is sourced from PubChem (CID 121325424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).