2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline

C44H29N3 — CID 163579355

IUPAC2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2cc(-c3ccncc3)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc21
InChIInChI=1S/C44H29N3/c1-2-10-29(11-3-1)42-43(47-41-17-9-8-16-40(41)46-42)31-19-21-35-34-20-18-30(28-22-24-45-25-23-28)26-38(34)44(39(35)27-31)36-14-6-4-12-32(36)33-13-5-7-15-37(33)44/h1-6,8-14,16-27H,7,15H2
InChIKeyGGEWNAVKNUACLU-UHFFFAOYSA-N
MW599.74 g/mol
LogP10.46
Rot. Bonds3

About 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline

2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline (PubChem CID 163579355) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
PubChem CID163579355
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2cc(-c3ccncc3)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc21
InChIInChI=1S/C44H29N3/c1-2-10-29(11-3-1)42-43(47-41-17-9-8-16-40(41)46-42)31-19-21-35-34-20-18-30(28-22-24-45-25-23-28)26-38(34)44(39(35)27-31)36-14-6-4-12-32(36)33-13-5-7-15-37(33)44/h1-6,8-14,16-27H,7,15H2
InChIKeyGGEWNAVKNUACLU-UHFFFAOYSA-N
XLogP10.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]quinoxalin-2-yl]phenyl]-3-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)carbazole
CID 88956505
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 159048422
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
CID 71106281
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
14-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394319
4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155442879
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
CID 159856241
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline
CID 89079727

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline?
The IUPAC name of 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline (CID 163579355) is 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline is C1=CC2=C(CC1)C1(c3ccccc32)c2cc(-c3ccncc3)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc21.
What is the InChIKey of 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline?
The InChIKey is GGEWNAVKNUACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-2-10-29(11-3-1)42-43(47-41-17-9-8-16-40(41)46-42)31-19-21-35-34-20-18-30(28-22-24-45-25-23-28)26-38(34)44(39(35)27-31)36-14-6-4-12-32(36)33-13-5-7-15-37(33)44/h1-6,8-14,16-27H,7,15H2.
What are the key properties of 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline?
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline has a molecular weight of 599.74 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline is sourced from PubChem (CID 163579355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).